SCHEMBL8510434

SCHEMBL8510434

C#C[C@]1(OC(=O)C2=CN(C)C=CC2)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 6/20 0.55
▸ LMNA P02545 6/20 0.55
▸ SMN1; SMN2 Q16637 6/20 0.55
▸ NR3C1 P04150 5/20 0.55
▸ CYP2C19 P33261 4/20 0.55
▸ PGR P06401 4/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ AR P10275 3/20 0.55
▸ HIF1A Q16665 3/20 0.55
▸ TSHR P16473 2/20 0.55
▸ THRB P10828 1/20 0.55
▸ ESR1 P03372 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.50
▸ ADRA1A P35348 2/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ SERPINA6 P08185 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ BLM P54132 4/20 0.49
▸ ADORA3 P0DMS8 3/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8510437 1.00 SHBG (0.55) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL9555269 1.00 SHBG (0.55) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL8507978 0.83 CYP3A4 (0.70) SHBGLMNANR3C1CYP2C19PGR
SCHEMBL6514713 0.83 CYP3A4 (0.70) SHBGLMNANR3C1CYP2C19PGR
SCHEMBL10938509 0.82 NR3C1 (0.67) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL11117577 0.82 NR3C1 (0.67) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL11117579 0.82 NR3C1 (0.67) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL10821749 0.79 SHBG (0.63) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL10821748 0.79 SHBG (0.63) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL11319124 0.79 SHBG (0.71) SHBGLMNASMN1; SMN2NR3C1CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335545-B2 Pharmaceutical formulations for parenteral use UNIV FLORIDA (US) 1998-09-23 — — EP claimed
EP-0327766-B1 Redox systems for brain-targeted drug delivery UNIV FLORIDA (US) 1998-04-08 — — EP claimed
US-5024998-A Administering in aqueous solution with cyclodextrin derivative UNIVERSITY OF FLORIDA (US) 1991-06-18 — — US claimed
US-5017566-A Redox systems for brain-targeted drug delivery UNIVERSITY OF FLORIDA (US) 1991-05-21 — — US claimed
US-5002935-A Inclusion Complexing Hydroxypropylcyclodextrin with a Dihydropyridine-substituted Drug UNIVERSITY OF FLORIDA (US) 1991-03-26 — — US claimed
US-4983586-A Decreasing precipitation at injection site or in lungs or other organs by combining with hydroxypropyl-beta-cyclodextrin UNIVERSITY OF FLORIDA (US) 1991-01-08 — — US claimed
EP-0335545-A2 Pharmaceutical formulations for parenteral use UNIVERSITY OF FLORIDA (US) 1989-10-04 — — EP claimed
EP-0327766-A2 Redox systems for brain-targeted drug delivery UNIVERSITY OF FLORIDA (US) 1989-08-16 — — EP claimed
EP-0579435-B1 Cyclodextrin complexation CYCLOPS H F (IS) 1999-03-17 — — EP disclosed
US-5472954-A Combining cyclodextrin with polymer before adding active material CYCLOPS H.F. (IS) 1995-12-05 — — US disclosed
US-5324718-A Complexing with natural and synthetic polymers; high speed drug release CYCLOPS H.F. (IS) 1994-06-28 — — US disclosed
EP-0579435-A1 Cyclodextrin complexation CYCLOPS h.f. (IS) 1994-01-19 — — EP disclosed
US-5187158-A Sustained delivery of viricides UNIVERSITY OF FLORIDA (US) 1993-02-16 — — US disclosed
US-5024998-A Administering in aqueous solution with cyclodextrin derivative UNIVERSITY OF FLORIDA (US) 1991-06-18 — — US disclosed
US-5017566-A Redox systems for brain-targeted drug delivery UNIVERSITY OF FLORIDA (US) 1991-05-21 — — US disclosed
US-5008257-A Penicillin or cephalosporin antibiotics UNIVERSITY OF FLORIDA (US) 1991-04-16 — — US disclosed
US-5002935-A Inclusion Complexing Hydroxypropylcyclodextrin with a Dihydropyridine-substituted Drug UNIVERSITY OF FLORIDA (US) 1991-03-26 — — US disclosed
US-4900837-A Brain-specific drug delivery of steroid sex hormones cleaved from pyridinium carboxylates and dihydro-pyridine carboxylate precursors UNIVERSITY OF FLORIDA (US) 1990-02-13 — — US disclosed
US-4880921-A Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1989-11-14 — — US disclosed
US-4824850-A DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1989-04-25 — — US disclosed
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