SCHEMBL29404871

SCHEMBL29404871

C[S+](C)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
PNMT P11086 2/20 0.38
CHRM5 P08912 1/20 0.37
TAAR1 Q96RJ0 3/20 0.36
PARP1 P09874 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ESR2 Q92731 1/20 0.35
POLB P06746 1/20 0.35
ALOX5 P09917 1/20 0.34
MGLL Q99685 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
SCHEMBL9222001 0.81 ALDH1A1 (0.39) ALDH1A1TSHRPNMTCHRM5TAAR1
SCHEMBL29726985 0.81 ALDH1A1 (0.39) ALDH1A1TSHRPNMTCHRM5TAAR1
SCHEMBL20048841 0.81 ALDH1A1 (0.39) ALDH1A1TSHRPNMTCHRM5TAAR1
SCHEMBL15109021 0.81 ALDH1A1 (0.39) ALDH1A1TSHRPNMTCHRM5TAAR1
SCHEMBL4592337 0.79 ALDH1A1 (0.46) ALDH1A1TSHRPNMTCHRM5TAAR1
SCHEMBL2197905 0.75 ALDH1A1 (0.42) ALDH1A1TSHRPNMTCHRM5TAAR1
SCHEMBL18331401 0.73 ALDH1A1 (0.41) ALDH1A1TSHRPNMTCHRM5TAAR1
SCHEMBL29404327 0.73 TSHR (0.46) ALDH1A1TSHRPNMTCHRM5TAAR1
Chloromethane SCHEMBL27517684 0.72 TSHR (0.55) ALDH1A1TSHRPNMTCHRM5TAAR1
SCHEMBL8274402 0.71 ALDH1A1 (0.44) ALDH1A1TSHRPNMTCHRM5TAAR1

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
CN-109554122-B Curing adhesive for polarizing film, optical film, and image display device 日东电工株式会社 2022-03-01 CN disclosed