SCHEMBL18893276

SCHEMBL18893276

CCCCCSc1cc(C)cc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.45
GPR84 Q9NQS5 3/20 0.40
PLK1 P53350 3/20 0.39
THRA P10827 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 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
SCHEMBL11567291 0.94 THRB (0.48) THRBGPR84PLK1THRASMN1; SMN2
SCHEMBL4809226 0.93 MAOA (0.42) THRBMAOAMAOBSMN1; SMN2HTT
SCHEMBL10692683 0.86 THRB (0.46) THRBGPR84THRAMAOAMAOB
SCHEMBL10692323 0.84 THRB (0.49) THRBGPR84THRA
SCHEMBL10689918 0.84 THRB (0.49) THRBGPR84THRA
SCHEMBL10686669 0.84 THRB (0.49) THRBGPR84THRA
SCHEMBL10695147 0.84 THRB (0.49) THRBGPR84THRA
SCHEMBL10691092 0.84 THRB (0.49) THRBGPR84THRA
SCHEMBL10690286 0.84 THRB (0.49) THRBGPR84THRA
SCHEMBL10692218 0.84 THRB (0.49) THRBGPR84THRA

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
EP-3032333-B1 SHRINK MATERIAL AND PATTERN FORMING PROCESS SHINETSU CHEMICAL CO (JP) 2017-05-24 EP disclosed