SCHEMBL27362497

SCHEMBL27362497

CCOCc1cccc(-c2ccccc2C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
PTPN11 Q06124 2/20 0.47
LTB4R2 Q9NPC1 4/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
FFAR4 Q5NUL3 2/20 0.44
PTGER1 P34995 2/20 0.44
FFAR1 O14842 1/20 0.44
RAB9A P51151 1/20 0.43
BRS3 P32247 1/20 0.43
MCL1 Q07820 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
NR4A2 P43354 1/20 0.43

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
SCHEMBL18414391 0.84 BCL2 (0.58) CYP4F2CYP4A11PTPN11LTB4R2RAB9A
SCHEMBL6677061 0.83 FOLH1 (0.61) PTPN11LTB4R2KDM4EPOLB
SCHEMBL22071096 0.79 ACMSD (0.60) CYP4F2CYP4A11LTB4R2RAB9ABRS3
SCHEMBL3971239 0.79 ACMSD (0.63) CYP4F2CYP4A11RAB9A
SCHEMBL13447590 0.78 AGXT (0.61) FFAR4FFAR1MRGPRX4NR4A2
SCHEMBL9341892 0.78 LTB4R2 (0.49) CYP4F2CYP4A11PTPN11LTB4R2RAB9A
SCHEMBL19237016 0.78 CFD (0.50) CYP4F2CYP4A11LTB4R2KDM4ERAB9A
SCHEMBL17796988 0.77 RXRA (0.61) PTPN11KDM4EFFAR1RAB9A
Hydrochloric Acid SCHEMBL20593581 0.77 CFD (0.49) CYP4F2CYP4A11LTB4R2KDM4ERAB9A
SCHEMBL3465994 0.77 FFAR1 (0.50) FFAR4FFAR1

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
WO-2024026483-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed