SCHEMBL8639699

SCHEMBL8639699

C=C[C@H]1CC[C@H]2[C@@H]3CC(C)C4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 6/20 0.31
UGT2B7 P16662 4/20 0.30
SHBG P04278 1/20 0.30

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
SCHEMBL10702497 1.00 CYP17A1 (0.42) CYP17A1CYP19A1UGT2B7SHBG
SCHEMBL11660824 0.81 GRIN2D (0.39) CYP19A1SHBG
SCHEMBL6349934 0.78 CYP19A1 (0.49) CYP19A1SHBG
SCHEMBL6262886 0.78 CYP19A1 (0.49) CYP19A1SHBG
SCHEMBL6262894 0.78 CYP19A1 (0.49) CYP19A1SHBG
SCHEMBL3651590 0.77 CYP19A1 (0.51) CYP17A1CYP19A1SHBG
SCHEMBL9938333 0.77 CYP19A1 (0.51) CYP17A1CYP19A1SHBG
SCHEMBL29434780 0.76 CYP19A1 (0.50) CYP17A1CYP19A1SHBG
SCHEMBL6820039 0.76 GRIN1 (0.42) CYP19A1
SCHEMBL10703840 0.73 CYP19A1 (0.33) CYP17A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754701-B1 NOVEL PROGESTERONE COMPOUND AND USE THEREOF MEIJI MILK PROD CO LTD (JP) 1998-08-12 EP disclosed
US-5693629-A 9A-FLUORO-6A-METHYLPROGESTERONE DERIVATIVES AS ANGIOGENESIS INHIBITORS; ANTITUMOR AND -CARCINOGENIC AGENTS; DIABETIC RETINITIS; RHEUMATISM MEIJI MILK PRODUCTS CO., LTD. (JP) 1997-12-02 US disclosed
EP-0754701-A1 NOVEL PROGESTERONE COMPOUND AND USE THEREOF MEIJI MILK PRODUCTS COMPANY LIMITED (JP) 1997-01-22 EP disclosed