SCHEMBL22201030

SCHEMBL22201030

C=Cc1cc(C)c(O)c(Oc2cc(C=C)cc(O)c2O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
EGFR P00533 3/20 0.41
ERBB2 P04626 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
APEX1 P27695 1/20 0.39
MPI P34949 1/20 0.39
RECQL P46063 1/20 0.39
MMP2 P08253 1/20 0.39
PTGS1 P23219 6/20 0.36
PTGS2 P35354 6/20 0.36
ALOX5 P09917 5/20 0.36
TUBB1 Q9H4B7 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36

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
SCHEMBL21423365 0.85 TRPA1 (0.47) TRPA1EGFRPTGS1PTGS2ALOX5
SCHEMBL26348257 0.85 EGFR (0.53) TRPA1EGFRERBB2PTGS1PTGS2
SCHEMBL18116476 0.81 EGFR (0.58) TRPA1EGFRKDM4EALDH1A1MAPT
SCHEMBL220820 0.78 PTGS1 (0.50) PTGS1PTGS2ALOX5CYP1A2CYP3A4
SCHEMBL24588599 0.77 KDM4E (0.54) TRPA1EGFRKDM4EALDH1A1MAPT
SCHEMBL3703392 0.77 TRPA1 (0.63) TRPA1EGFRKDM4EALDH1A1MAPT
SCHEMBL665222 0.73 ALDH1A1 (0.44) TRPA1EGFRKDM4EALDH1A1MAPT
SCHEMBL25140015 0.73 PTGS1 (0.47) EGFRERBB2PTGS1PTGS2ALOX5
SCHEMBL11417416 0.72 TUBB1 (0.41) TRPA1EGFRERBB2KDM4EALDH1A1
SCHEMBL22991663 0.71 TTR (0.42) EGFRERBB2PTGS1PTGS2ALOX5

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-20200218154-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-09 US disclosed