SCHEMBL25899522

SCHEMBL25899522

C=Cc1ccc(OC)c(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.58
TRPA1 O75762 1/20 0.54
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
THRB P10828 1/20 0.45
CYP2D6 P10635 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45

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
SCHEMBL12505513 0.85 TRPA1 (0.53) APPTRPA1KDM4EALDH1A1HPGD
SCHEMBL13926059 0.84 APP (0.73) APPKDM4EALDH1A1HPGDKMT2A
SCHEMBL2934800 0.84 ALDH1A1 (0.61) APPKDM4EALDH1A1HPGDLCK
SCHEMBL29956561 0.84 ALDH1A1 (0.61) APPKDM4EALDH1A1HPGDLCK
SCHEMBL10415024 0.83 ALDH1A1 (0.59) APPKDM4EALDH1A1HPGDLCK
SCHEMBL8205579 0.81 APP (0.65) APPKDM4EALDH1A1HPGDKMT2A
SCHEMBL5388897 0.81 APP (0.65) APPKDM4EALDH1A1HPGDKMT2A
SCHEMBL5388902 0.81 APP (0.65) APPKDM4EALDH1A1HPGDKMT2A
SCHEMBL5388899 0.81 APP (0.65) APPKDM4EALDH1A1HPGDKMT2A
SCHEMBL25899548 0.81 TRPA1 (0.49) APPTRPA1KDM4EALDH1A1HPGD

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-2023140364-A1 RESIST COMPOSITION, METHOD FOR FORMING RESIST PATTERN, COMPOUND, AND POLYMER 東京応化工業株式会社 2023-07-27 WO disclosed