SCHEMBL9174063

SCHEMBL9174063

COc1ccc([C@H]2C[C@]3(C)C(=O)CC[C@@H]3[C@@H]3CCC4(O)CC5(CC[C@@H]4[C@H]32)OCCO5)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ PGR P06401 2/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ AR P10275 1/20 0.37
▸ CYP19A1 P11511 14/20 0.36
▸ CYP2C9 P11712 2/20 0.35
▸ ABCC4 O15439 1/20 0.35
▸ STS P08842 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ SLCO1B1 Q9Y6L6 1/20 0.35
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8768139 1.00 MAPT (0.39) MAPTLMNAHSD17B1RECQLSMN1; SMN2
SCHEMBL8651638 1.00 MAPT (0.39) MAPTLMNAHSD17B1RECQLSMN1; SMN2
SCHEMBL8655553 0.88 MAPT (0.35) MAPTLMNAHSD17B1RECQLSMN1; SMN2
SCHEMBL8654560 0.88 STS (0.38) MAPTLMNAHSD17B1RECQLSMN1; SMN2
SCHEMBL8653384 0.83 MAPT (0.38) MAPTLMNAHSD17B1RECQLSMN1; SMN2
SCHEMBL8768961 0.82 LMNA (0.38) MAPTLMNASMN1; SMN2PGRNR3C1
SCHEMBL8653316 0.82 LMNA (0.38) MAPTLMNASMN1; SMN2PGRNR3C1
SCHEMBL9172523 0.82 LMNA (0.38) MAPTLMNASMN1; SMN2PGRNR3C1
SCHEMBL8656559 0.82 NR3C1 (0.32) PGRNR3C1AR
SCHEMBL8653835 0.77 MAPT (0.46) MAPTLMNAHSD17B1RECQLSMN1; SMN2

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
US-5426102-A Antigestagenic, antiandrogenic, antiglucocorticoid, antimineralcorticoid properties SCHERING AKTIENGESELLSCHAFT (DE) 1995-06-20 — — US disclosed
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