SCHEMBL3934602

SCHEMBL3934602

CC=C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12CC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.65
SMN1; SMN2 Q16637 6/20 0.62
ALDH1A1 P00352 5/20 0.62
MAPK1 P28482 3/20 0.62
BLM P54132 3/20 0.62
PMP22 Q01453 3/20 0.62
NPSR1 Q6W5P4 3/20 0.62
HSD17B10 Q99714 3/20 0.62
SHBG P04278 3/20 0.62
LMNA P02545 2/20 0.62
SERPINA6 P08185 2/20 0.62
HSD17B3 P37058 2/20 0.62
SNCA P37840 2/20 0.62
TSHR P16473 2/20 0.62
NR3C1 P04150 3/20 0.61
PGR P06401 3/20 0.61
NR1I2 O75469 2/20 0.61
NR3C2 P08235 2/20 0.61
CYP3A4 P08684 2/20 0.61
AR P10275 2/20 0.61

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
SCHEMBL3932821 1.00 CYP19A1 (0.65) CYP19A1SMN1; SMN2ALDH1A1MAPK1BLM
SCHEMBL3934603 1.00 CYP19A1 (0.65) CYP19A1SMN1; SMN2ALDH1A1MAPK1BLM
SCHEMBL14546354 0.88 SMN1; SMN2 (0.71) CYP19A1SMN1; SMN2ALDH1A1MAPK1BLM
SCHEMBL12153590 0.88 SMN1; SMN2 (0.71) CYP19A1SMN1; SMN2ALDH1A1MAPK1BLM
SCHEMBL5683193 0.88 SMN1; SMN2 (0.71) CYP19A1SMN1; SMN2ALDH1A1MAPK1BLM
SCHEMBL12153531 0.88 SMN1; SMN2 (0.71) CYP19A1SMN1; SMN2ALDH1A1MAPK1BLM
SCHEMBL16842389 0.88 SMN1; SMN2 (0.71) CYP19A1SMN1; SMN2ALDH1A1MAPK1BLM
SCHEMBL5683195 0.88 SMN1; SMN2 (0.71) CYP19A1SMN1; SMN2ALDH1A1MAPK1BLM
SCHEMBL12153463 0.88 SMN1; SMN2 (0.71) CYP19A1SMN1; SMN2ALDH1A1MAPK1BLM
SCHEMBL3933487 0.87 CYP19A1 (0.76) CYP19A1SMN1; SMN2ALDH1A1MAPK1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976997-B1 PROCESS FOR THE PREPARATION OF 11BETA-HYDR0XY-9BETA,10ALPHA-STEROIDS EMPLOYING AMYCOLATOPSIS MEDITERRANEI CELLS SOLVAY PHARM GMBH (DE) 2009-04-08 EP disclosed
EP-1976997-A1 PROCESS FOR THE PREPARATION OF 11BETA-HYDR0XY-9BETA, 10ALPHA -STEROIDS EMPLOYING AMYCOLATOPSIS MEDITERRANEI CELLS Solvay Pharmaceuticals GmbH (DE) 2008-10-08 EP disclosed
US-20070212751-A1 Microbial method for the 11beta hydroxylation of 9beta, 10alpha-steriods SOLVAY PHARMACEUTICALS GMBH (DE) 2007-09-13 US disclosed
WO-2007082891-A1 PROCESS FOR THE PREPARATION OF 11BETA-HYDR0XY-9BETA, 10ALPHA -STEROIDS EMPLOYING AMYCOLATOPSIS MEDITERRANEI CELLS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-07-26 WO disclosed