SCHEMBL11281433

SCHEMBL11281433

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COS(C)(=O)=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 10/20 0.78
▸ PGR P06401 2/20 0.78
▸ SERPINA6 P08185 2/20 0.78
▸ LMNA P02545 2/20 0.78
▸ AR P10275 1/20 0.78
▸ CHRM1 P11229 1/20 0.78
▸ NR3C1 P04150 8/20 0.75
▸ SMN1; SMN2 Q16637 3/20 0.75
▸ CYP2C19 P33261 2/20 0.75
▸ HSD17B10 Q99714 2/20 0.75
▸ CYP3A4 P08684 2/20 0.75
▸ NFKB1 P19838 2/20 0.75
▸ MAPT P10636 2/20 0.75
▸ SHBG P04278 1/20 0.75
▸ NR3C2 P08235 1/20 0.75
▸ KMT2A Q03164 1/20 0.75
▸ PMP22 Q01453 1/20 0.70
▸ TSHR P16473 1/20 0.70
▸ POLB P06746 1/20 0.69
▸ GAA P10253 1/20 0.69

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
SCHEMBL11144452 1.00 HIF1A (0.78) HIF1APGRSERPINA6LMNAAR
SCHEMBL12235695 1.00 HIF1A (0.78) HIF1APGRSERPINA6LMNAAR
SCHEMBL332584 1.00 HIF1A (0.78) HIF1APGRSERPINA6LMNAAR
SCHEMBL2803362 0.93 HIF1A (0.78) HIF1APGRSERPINA6LMNAAR
SCHEMBL4618329 0.90 HIF1A (0.84) HIF1APGRSERPINA6LMNAAR
SCHEMBL14867487 0.90 HIF1A (0.84) HIF1APGRSERPINA6LMNAAR
SCHEMBL13368121 0.90 HIF1A (0.84) HIF1APGRSERPINA6LMNAAR
SCHEMBL9073513 0.88 HIF1A (0.71) HIF1APGRSERPINA6LMNAAR
SCHEMBL12396664 0.88 HIF1A (0.71) HIF1APGRSERPINA6LMNAAR
Hydrocortisone Acetate SCHEMBL4940901 0.88 HIF1A (1.00) HIF1APGRSERPINA6LMNAAR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0061416-A1 Process for the preparation of Delta 9(11)- and delta 16-21-chloro-20-keto steroids of the pregnane and D-homopregnane series and their use as intermediates for the synthesis of highly effective corticoids SCHERING AKTIENGESELLSCHAFT (DE) 1982-09-29 — — EP disclosed
Send feedback