SCHEMBL4927255

SCHEMBL4927255

C[C@]12CCC3C(CC[C@H]4CC(OS(=O)(=O)O)=CC[C@]34C)C1CCC2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.56
AKR1B10 O60218 2/20 0.56
AKR1B1 P15121 2/20 0.56
OR51E2 Q9H255 1/20 0.56
GPBAR1 Q8TDU6 4/20 0.51
LMNA P02545 3/20 0.51
CYP3A4 P08684 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 3/20 0.51
SHBG P04278 2/20 0.51
SERPINA6 P08185 2/20 0.51
G6PD P11413 2/20 0.51
HSD17B3 P37058 1/20 0.51
PMP22 Q01453 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
CYP2C19 P33261 1/20 0.51
ABCC4 O15439 1/20 0.50

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
SCHEMBL4726566 1.00 CYP19A1 (0.56) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL8677783 0.82 CYP19A1 (0.58) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL19260808 0.81 GRIN2D (0.57) AKR1B10AKR1B1GPBAR1LMNACYP3A4
SCHEMBL7062550 0.81 GRIN2D (0.57) AKR1B10AKR1B1GPBAR1LMNACYP3A4
SCHEMBL4585718 0.80 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL6254375 0.80 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL11518397 0.80 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL6446879 0.80 GRIN1 (0.49) GPBAR1LMNAABCC4MAPT
SCHEMBL8676095 0.79 MAPK1 (0.53) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL11042029 0.79 CYP19A1 (0.66) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1

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
US-20080190218-A1 Sampler and method of sampling CONOPCO INC, D/B/A UNILEVER 2008-08-14 US disclosed
EP-1881836-A1 METHOD FOR PREPARING AND USING WATER-BASED STEROID PHEROMONE COMPOSITIONS Phero Tech Inc. (CA) 2008-01-30 EP disclosed
WO-2006119604-A1 METHOD FOR PREPARING AND USING WATER-BASED STEROID PHEROMONE COMPOSITIONS PHERO TECH INC. (CA) 2006-11-16 WO disclosed
US-20060252738-A1 Method for preparing and using water-based steroid pheromone compositions PHERO TECH INC. (CA) 2006-11-09 US disclosed