SCHEMBL29477173

SCHEMBL29477173

CCCCCCCCCCCCc1cc(C)c(C)c(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.46
ALOX5 P09917 4/20 0.43
CYP3A4 P08684 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LIPG Q9Y5X9 1/20 0.40
PTGS2 P35354 6/20 0.39
GPR84 Q9NQS5 2/20 0.38
HTR2A P28223 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
Hydrogen Sulfide SCHEMBL28200014 0.98 TYR (0.44) TYRALOX5CYP3A4MEN1TP53
Ammonia Solution, Strong SCHEMBL30483961 0.98 TYR (0.44) TYRALOX5CYP3A4MEN1TP53
SCHEMBL1287616 0.91 TYR (0.39) TYRALOX5CYP3A4MEN1TP53
SCHEMBL11646263 0.86 TYR (0.44) TYRALOX5CYP3A4MEN1TP53
SCHEMBL27719431 0.82 ALDH1A1 (0.33) ALOX5MAPTALOX15TSHR
SCHEMBL20816041 0.82 ALOX5 (0.48) TYRALOX5CYP3A4MEN1TP53
SCHEMBL1613239 0.82 TYR (0.30) TYR
SCHEMBL1611499 0.82 TYR (0.30) TYR
SCHEMBL1611374 0.82 TYR (0.30) TYR
SCHEMBL9839737 0.79 NPSR1 (0.36) ALOX15

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-112320776-B Chemical waste liquid throwing and washing water regenerated acid recovery system and application thereof 东莞市三人行环境科技有限公司 2022-04-01 CN disclosed