SCHEMBL26487514

SCHEMBL26487514

Cc1ccc(C(=O)O)c(OC(C)[PH](C(C)C)(C(C)C)C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
CSNK2A1 P68400 1/20 0.41
GRIK1 P39086 1/20 0.38
GRIA2 P42262 1/20 0.38
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
KDM4E B2RXH2 3/20 0.36
CCR2 P41597 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPBWR1 P48145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCHR1 Q99705 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRPM4 Q8TD43 1/20 0.34
MCL1 Q07820 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL1699147 0.82 ALDH1A1 (0.56) ALDH1A1CSNK2A1GRIK1GRIA2IDO1
SCHEMBL21939155 0.78 SMN1; SMN2 (0.47) ALDH1A1CSNK2A1GRIK1GRIA2KDM4E
SCHEMBL365917 0.73 ALDH1A1 (0.65) ALDH1A1CSNK2A1IDO1TDO2KDM4E
SCHEMBL5695940 0.73 CSNK2A1 (0.52) ALDH1A1CSNK2A1GRIK1GRIA2KDM4E
SCHEMBL17006036 0.72 ALDH1A1 (0.39) ALDH1A1CSNK2A1GRIK1GRIA2IDO1
SCHEMBL21939124 0.72 XDH (0.49) ALDH1A1CSNK2A1KDM4ETSHRTDP1
SCHEMBL1317441 0.70 KDM4E (0.69) ALDH1A1CSNK2A1KDM4EKMT2ASMN1; SMN2
SCHEMBL21939449 0.70 GRIK1 (0.60) ALDH1A1CSNK2A1GRIK1GRIA2KDM4E
SCHEMBL6646454 0.69 TSHR (0.53) ALDH1A1CSNK2A1KDM4ESMN1; SMN2TSHR
SCHEMBL13836913 0.69 CSNK2A1 (0.47) ALDH1A1CSNK2A1GRIK1GRIA2KDM4E

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-2023068333-A1 METHOD FOR PRODUCING ACID GENERATOR 東京応化工業株式会社 2023-04-27 WO disclosed