SCHEMBL31456322

SCHEMBL31456322

CCOC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.70
LMNA P02545 5/20 0.70
PTGS1 P23219 4/20 0.70
AKR1C3 P42330 4/20 0.70
AKR1C2 P52895 4/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
MAPT P10636 3/20 0.70
CYP2C19 P33261 2/20 0.70
FABP2 P12104 1/20 0.70
TSHR P16473 1/20 0.70
AKR1C4 P17516 1/20 0.70
ADRA2B P18089 1/20 0.70
CHRM3 P20309 1/20 0.70
HTR2C P28335 1/20 0.70
DRD3 P35462 1/20 0.70
AKR1C1 Q04828 1/20 0.70
SLC22A6 Q4U2R8 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2C9 P11712 1/20 0.70

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
SCHEMBL17918662 1.00 PTGS2 (0.70) PTGS2LMNAPTGS1AKR1C3AKR1C2
SCHEMBL8755060 1.00 PTGS2 (0.70) PTGS2LMNAPTGS1AKR1C3AKR1C2
SCHEMBL9555720 1.00 PTGS2 (0.70) PTGS2LMNAPTGS1AKR1C3AKR1C2
SCHEMBL15691262 0.90 PTGS2 (0.67) PTGS2LMNAPTGS1AKR1C3AKR1C2
SCHEMBL8755265 0.90 PTGS2 (0.67) PTGS2LMNAPTGS1AKR1C3AKR1C2
SCHEMBL24864124 0.90 PTGS2 (0.67) PTGS2LMNAPTGS1AKR1C3AKR1C2
SCHEMBL10754486 0.88 LMNA (0.68) PTGS2LMNAPTGS1AKR1C3AKR1C2
SCHEMBL15872082 0.88 LMNA (0.68) PTGS2LMNAPTGS1AKR1C3AKR1C2
SCHEMBL8755158 0.88 LMNA (0.68) PTGS2LMNAPTGS1AKR1C3AKR1C2
SCHEMBL29110199 0.88 LMNA (0.68) PTGS2LMNAPTGS1AKR1C3AKR1C2

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
CN-119775137-A Preparation method of (S) -2- (2-fluoro- [1,1' -biphenyl ] -4-yl) propionic acid 江苏中卫康医药研发有限公司 2025-04-08 CN disclosed