SCHEMBL25836568

SCHEMBL25836568

COCCC1(CCOC)c2ccccc2-c2c1c1c(c3cc4c(cc23)OCO4)OC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C=C1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
EDNRA P25101 13/20 0.33
EDNRB P24530 11/20 0.33
ALDH1A1 P00352 2/20 0.31
GPR55 Q9Y2T6 2/20 0.30
TP53 P04637 1/20 0.30
HTR1A P08908 1/20 0.30
CNR1 P21554 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RAF1 P04049 1/20 0.30
BRAF P15056 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL25837330 0.90
SCHEMBL25876571 0.90 SCN9A (0.32) SCN9AEDNRAEDNRBALDH1A1
SCHEMBL25836567 0.83 EGFR (0.32) ALDH1A1MEN1KMT2A
SCHEMBL25836577 0.82
SCHEMBL25838023 0.82 KDM4E (0.32) ALDH1A1MEN1LMNAHTTKMT2A
SCHEMBL25837594 0.81
SCHEMBL10018208 0.81 SCN9A (0.31) SCN9AEDNRAEDNRBALDH1A1RAF1
SCHEMBL21585207 0.81 KDM4E (0.32) ALDH1A1MEN1LMNAHTTKMT2A
SCHEMBL10018221 0.80 RAF1 (0.32) RAF1BRAF
SCHEMBL25599862 0.80 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2LMNAHTTKMT2A

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-2023136213-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2023-07-20 WO disclosed