SCHEMBL8507978

SCHEMBL8507978

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.70
▸ ABCB11 O95342 5/20 0.70
▸ PGR P06401 5/20 0.70
▸ CYP2C19 P33261 4/20 0.70
▸ AR P10275 4/20 0.70
▸ NR3C1 P04150 3/20 0.70
▸ MEN1 O00255 3/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ MAPT P10636 2/20 0.70
▸ ADORA3 P0DMS8 2/20 0.70
▸ CHRM1 P11229 2/20 0.70
▸ SLC6A2 P23975 2/20 0.70
▸ ADRA1A P35348 2/20 0.70
▸ MAPK1 P28482 2/20 0.70
▸ CHRM2 P08172 1/20 0.70
▸ TBXA2R P21731 1/20 0.70
▸ LMNA P02545 5/20 0.56
▸ ESR1 P03372 3/20 0.56
▸ SLC6A4 P31645 3/20 0.56
▸ SHBG P04278 2/20 0.56

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
SCHEMBL6514713 1.00 CYP3A4 (0.70) CYP3A4ABCB11PGRCYP2C19AR
SCHEMBL6513528 0.88 PGR (0.58) CYP3A4ABCB11PGRCYP2C19AR
SCHEMBL8510434 0.83 SHBG (0.55) CYP3A4ABCB11PGRCYP2C19AR
SCHEMBL8510437 0.83 SHBG (0.55) CYP3A4ABCB11PGRCYP2C19AR
SCHEMBL9555269 0.83 SHBG (0.55) CYP3A4ABCB11PGRCYP2C19AR
SCHEMBL11291553 0.83 CYP3A4 (0.85) CYP3A4ABCB11PGRCYP2C19AR
Norethindrone Acetate SCHEMBL37530 0.83 CYP3A4 (1.00) CYP3A4ABCB11PGRCYP2C19AR
Norethindrone Acetate SCHEMBL11321479 0.83 CYP3A4 (1.00) CYP3A4ABCB11PGRCYP2C19AR
Norethindrone Acetate SCHEMBL14577826 0.83 CYP3A4 (1.00) CYP3A4ABCB11PGRCYP2C19AR
Norethindrone Acetate SCHEMBL1232662 0.83 CYP3A4 (1.00) CYP3A4ABCB11PGRCYP2C19AR

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 17 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
EP-0579435-B1 Cyclodextrin complexation CYCLOPS H F (IS) 1999-03-17 — — EP disclosed
EP-0335545-B2 Pharmaceutical formulations for parenteral use UNIV FLORIDA (US) 1998-09-23 — — EP disclosed
EP-0327766-B1 Redox systems for brain-targeted drug delivery UNIV FLORIDA (US) 1998-04-08 — — 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-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-5002935-A Inclusion Complexing Hydroxypropylcyclodextrin with a Dihydropyridine-substituted Drug UNIVERSITY OF FLORIDA (US) 1991-03-26 — — US disclosed
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 disclosed
EP-0335545-A2 Pharmaceutical formulations for parenteral use UNIVERSITY OF FLORIDA (US) 1989-10-04 — — EP disclosed
EP-0327766-A2 Redox systems for brain-targeted drug delivery UNIVERSITY OF FLORIDA (US) 1989-08-16 — — EP disclosed
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