SCHEMBL7523457

SCHEMBL7523457

C[C@@]12CCC[C@H]1[C@@H]1CC=C3CCC=C[C@]3(C)[C@H]1CC2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.52
MBOAT4 Q96T53 1/20 0.37
SHBG P04278 2/20 0.36
CYP1B1 Q16678 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
SERPINA6 P08185 1/20 0.34
GUSB P08236 1/20 0.34
CYP3A4 P08684 1/20 0.34
G6PD P11413 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34

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
SCHEMBL5311341 0.82 CYP19A1 (0.35) CYP19A1SHBGMEN1LMNASERPINA6
SCHEMBL5494156 0.82 CYP19A1 (0.35) CYP19A1SHBGMEN1LMNASERPINA6
SCHEMBL5308814 0.82 CYP19A1 (0.39) CYP19A1SHBGMEN1LMNASERPINA6
SCHEMBL15022272 0.80 CYP19A1 (0.63) CYP19A1MBOAT4SHBGLMNACYP3A4
SCHEMBL30634633 0.80 CYP19A1 (0.63) CYP19A1MBOAT4SHBGLMNACYP3A4
SCHEMBL16011817 0.80 MAPT (0.43) CYP19A1SHBGCYP1B1MEN1LMNA
SCHEMBL2846194 0.80 CYP19A1 (0.63) CYP19A1MBOAT4SHBGLMNACYP3A4
SCHEMBL16011818 0.80 MAPT (0.43) CYP19A1SHBGCYP1B1MEN1LMNA
SCHEMBL16011768 0.78 CYP19A1 (0.61) CYP19A1SHBGMEN1LMNASERPINA6
SCHEMBL5494151 0.78 CYP19A1 (0.48) CYP19A1MBOAT4SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970105-B1 PROCESS FOR PREPARING CARBOXAMIDO-4-AZASTEROIDS PHARMACIA & UPJOHN SPA (IT) 2002-02-27 EP disclosed
WO-2002012132-A2 PHOTOCATALYTIC DEGRADATION OF ORGANIC COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2002-02-14 WO disclosed
US-6284887-B1 PREPARING 17.BETA.-CARBOXAMIDO-4-AZASTEROIDS STARTING FROM THE CORRESPONDING 17.BETA.-CARBONYLIMIDAZOLE DERIVATIVES. PHARMACIA & UPJOHN SPA (IT) 2001-09-04 US disclosed
US-6121449-A Process for preparing carboxamido-4-azasteroids PHARMACIA & UPJOHN SPA (IT) 2000-09-19 US disclosed
WO-1991009823-A1 PHOTOCATALYTIC PROCESS FOR DEGRADATION OF ORGANIC MATERIALS IN A VAPORIZED OR GASEOUS STATE TRUSTEES OF BOSTON UNIVERSITY (US) 1991-07-11 WO disclosed