SCHEMBL26348257

SCHEMBL26348257

C=Cc1cc(C)c(O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.53
ERBB2 P04626 1/20 0.53
CYP2C9 P11712 2/20 0.41
PTGS1 P23219 9/20 0.41
PTGS2 P35354 9/20 0.41
ALOX5 P09917 8/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2B6 P20813 1/20 0.41
TTR P02766 1/20 0.41
SELL P14151 1/20 0.39
SELP P16109 1/20 0.39
SELE P16581 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TRPA1 O75762 1/20 0.38
EEF2K O00418 1/20 0.38
SRC P12931 1/20 0.38
CNR1 P21554 1/20 0.37

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
SCHEMBL220820 0.88 PTGS1 (0.50) CYP2C9PTGS1PTGS2ALOX5CYP1A2
SCHEMBL22201030 0.85 TRPA1 (0.43) EGFRERBB2CYP2C9PTGS1PTGS2
SCHEMBL665222 0.83 ALDH1A1 (0.44) EGFRCYP2C9PTGS2CYP3A4SELL
SCHEMBL25140015 0.83 PTGS1 (0.47) EGFRERBB2CYP2C9PTGS1PTGS2
SCHEMBL11417416 0.82 TUBB1 (0.41) EGFRERBB2CYP2C9PTGS1PTGS2
SCHEMBL22991663 0.80 TTR (0.42) EGFRERBB2CYP2C9PTGS1PTGS2
SCHEMBL9149322 0.78 PTGS1 (0.38) EGFRERBB2CYP2C9PTGS1PTGS2
SCHEMBL25142212 0.78 PTGS1 (0.38) EGFRERBB2CYP2C9PTGS1PTGS2
SCHEMBL27424588 0.78 PTGS1 (0.38) EGFRERBB2CYP2C9PTGS1PTGS2
SCHEMBL25142209 0.78 PTGS1 (0.49) CYP2C9PTGS1PTGS2ALOX5CYP1A2

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
US-20230305398-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed