SCHEMBL8677783

SCHEMBL8677783

C[C@]12CC=C(OC=O)CC1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.58
AKR1B10 O60218 2/20 0.58
AKR1B1 P15121 2/20 0.58
OR51E2 Q9H255 1/20 0.58
GPBAR1 Q8TDU6 4/20 0.50
LMNA P02545 3/20 0.50
CYP3A4 P08684 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SHBG P04278 2/20 0.50
SERPINA6 P08185 2/20 0.50
MAPK1 P28482 2/20 0.50
HSD17B3 P37058 1/20 0.50
PMP22 Q01453 1/20 0.50
G6PD P11413 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4927255 0.82 CYP19A1 (0.56) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL4726566 0.82 CYP19A1 (0.56) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL11042029 0.81 CYP19A1 (0.66) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL3988004 0.81 CYP19A1 (0.66) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL4585718 0.80 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL6254375 0.80 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL11518397 0.80 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL8533582 0.80 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL8676095 0.79 MAPK1 (0.53) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL868473 0.74 CYP19A1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5837700-A MENOPAUSE ENDORECHERCHE, INC. (CA) 1998-11-17 US disclosed