SCHEMBL28118616

SCHEMBL28118616

CCCc1ccc(O)c(Br)c1O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.55
▸ TYR P14679 3/20 0.46
▸ ELANE P08246 1/20 0.41
▸ CTSG P08311 1/20 0.41
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ ALOX5 P09917 2/20 0.39
▸ HMGCR P04035 1/20 0.37
▸ IAPP P10997 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL11079390 0.85 PRKCI (0.47) PRKCITYRELANECTSGCNR1
SCHEMBL8402775 0.85 TYR (0.67) TYRELANECTSGALOX5MEN1
SCHEMBL8401820 0.85 TYR (0.67) TYRELANECTSGALOX5MEN1
SCHEMBL28438761 0.83 PRKCI (0.46) PRKCITYRELANECTSGALOX5
SCHEMBL5445936 0.80 PRKCI (0.60) PRKCITYRELANECTSGCNR1
SCHEMBL5590177 0.79 PRKCI (0.57) PRKCITYRELANECTSGCNR1
SCHEMBL5319104 0.79 TYR (0.40) PRKCITYR
SCHEMBL4011837 0.77 PRKCI (0.56) PRKCITYRELANECTSGCNR1
SCHEMBL21224062 0.77 TYR (0.72) PRKCITYRELANECTSGCNR1
SCHEMBL31634508 0.75 GABRA1 (0.46) PRKCIELANECTSGIAPP

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-106574107-A Melt polymerized polycarbonate 沙特基础工业全球技术有限公司 2017-04-19 — — CN disclosed
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