SCHEMBL3407256

SCHEMBL3407256

CCC1Cc2ccc(O)cc2C1CC(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
MIF P14174 4/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NQO2 P16083 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MEN1 O00255 2/20 0.35
GLA P06280 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
NR1I2 O75469 1/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL3409346 0.86 OPRM1 (0.46) OPRM1OPRD1OPRK1NQO2MTNR1A
SCHEMBL24650903 0.83 MIF (0.40) OPRM1OPRD1OPRK1MIFHDAC6
SCHEMBL13047900 0.79 MIF (0.46) OPRM1OPRD1OPRK1MIFHDAC6
SCHEMBL3411923 0.79 MIF (0.46) OPRM1OPRD1OPRK1MIFHDAC6
SCHEMBL3413462 0.79 MIF (0.46) OPRM1OPRD1OPRK1MIFHDAC6
SCHEMBL3413664 0.76 MTNR1A (0.44) NQO2MTNR1AMTNR1B
SCHEMBL24650269 0.73 NQO2 (0.37) OPRM1OPRD1OPRK1MIFHDAC6
SCHEMBL24650926 0.73 MIF (0.42) OPRM1OPRD1OPRK1MIFNQO2
SCHEMBL24650907 0.72 SHBG (0.42) OPRM1OPRD1OPRK1MIFHDAC6
SCHEMBL3407380 0.71 MTNR1A (0.57) MIFNQO2MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260017-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS Amgen, Inc (US) 2010-12-15 EP disclosed
WO-2009111056-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2009-09-11 WO disclosed