SCHEMBL9330830

SCHEMBL9330830

CCCOCC[C@@](C)(C(=O)O)c1ccc2cc(OC)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.42
AKR1C2 P52895 6/20 0.42
PTGS1 P23219 4/20 0.42
KDM4E B2RXH2 1/20 0.41
AKR1C1 Q04828 1/20 0.41
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CCR9 P51686 1/20 0.38
PPARA Q07869 1/20 0.38
PTGS2 P35354 3/20 0.38
CDC42 P60953 1/20 0.38
RAC1 P63000 1/20 0.38
TSHR P16473 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38

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
SCHEMBL9330626 1.00 AKR1C3 (0.42) AKR1C3AKR1C2PTGS1KDM4EAKR1C1
SCHEMBL9330648 0.94 GAA (0.43) AKR1C3AKR1C2PTGS1KDM4EAKR1C1
SCHEMBL9333964 0.91 AKR1C3 (0.43) AKR1C3AKR1C2PTGS1KDM4EAKR1C1
SCHEMBL9333423 0.91 AKR1C3 (0.43) AKR1C3AKR1C2PTGS1KDM4EAKR1C1
SCHEMBL8756075 0.84 CNR2 (0.45) AKR1C3AKR1C2PTGS1KDM4EAKR1C1
SCHEMBL220266 0.83 AKR1C3 (0.47) AKR1C3AKR1C2PTGS1KDM4EAKR1C1
SCHEMBL506525 0.83 AKR1C3 (0.49) AKR1C3AKR1C2PTGS1KDM4EAKR1C1
SCHEMBL9330637 0.82 AKR1C3 (0.44) AKR1C3AKR1C2PTGS1KDM4EAKR1C1
SCHEMBL221552 0.81 PPARA (0.45) AKR1C3AKR1C2PTGS1KDM4ECYP1A2
Hydrochloric Acid SCHEMBL220256 0.81 AKR1C3 (0.44) AKR1C3AKR1C2PTGS1KDM4EAKR1C1

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
EP-0330217-B1 Process for the continuous biotechnological preparation of optical isomer S(+) of 2-(6-methoxy-2-naphthyl)propionic acid ENICHEM SPA (IT) 1994-04-20 EP claimed