SCHEMBL31336065

SCHEMBL31336065

COCOc1cc(F)c(C(C)(C)C)cc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.37
EGFR P00533 2/20 0.36
CLCN2 P51788 1/20 0.36
NR1I2 O75469 1/20 0.35
CYP2C8 P10632 1/20 0.35
IDO1 P14902 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RBP4 P02753 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
FABP4 P15090 1/20 0.33
XDH P47989 1/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
RXRA P19793 1/20 0.33

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
SCHEMBL31335662 1.00 PTGDR2 (0.37) PTGDR2EGFRCLCN2NR1I2CYP2C8
SCHEMBL5008843 0.87 PTGDR2 (0.42) PTGDR2EGFRCLCN2TSHRHSD17B10
SCHEMBL31335940 0.79 KDM4E (0.32) PTGDR2EGFRKDM4EALDH1A1MAPT
SCHEMBL15459960 0.77 ALDH1A1 (0.47) NR1I2CYP2C8IDO1HSD17B10LCK
SCHEMBL4522132 0.75 CLCN2 (0.47) EGFRCLCN2TSHRHSD17B10KDM4E
SCHEMBL31335851 0.75 ALDH1A1 (0.35) EGFRTSHRKDM4EALDH1A1MAPT
SCHEMBL17896567 0.74 GLRA3 (0.42) KDM4EALDH1A1MAPTPOLBFABP4
SCHEMBL22245067 0.74 HSD17B10 (0.46) EGFRCLCN2TSHRHSD17B10LCK
SCHEMBL3156615 0.74 EGFR (0.55) EGFRHSD17B10KDM4EALDH1A1NR1H4
SCHEMBL6331248 0.72 CYP3A4 (0.47) PTGDR2TSHRKDM4EALDH1A1MAPT

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-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed