SCHEMBL13063363

SCHEMBL13063363

CCCC(C)(C)C(=O)c1ccc(Oc2ccc(C(=O)Oc3ccc(C(C)c4ccc(OC(C)CC)c(C)c4)cc3C)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
ELANE P08246 1/20 0.35
THRB P10828 2/20 0.35
GAA P10253 2/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 3/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPT P10636 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 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
SCHEMBL16864161 0.94 TAS1R3 (0.35) TAS1R3TAS1R1THRBGAATP53
SCHEMBL16681642 0.87 ELANE (0.35) TAS1R3TAS1R1ELANETHRBGAA
SCHEMBL19458372 0.87 MAPT (0.37) TAS1R3TAS1R1THRBGAATP53
SCHEMBL13660382 0.85 ELANE (0.33) TAS1R3TAS1R1ELANETHRBGAA
SCHEMBL12942547 0.85 VDR (0.32) TAS1R3TAS1R1THRBGAATP53
SCHEMBL17130508 0.84 TAS1R3 (0.42) TAS1R3TAS1R1THRBGAATP53
SCHEMBL19139144 0.83 TAS1R3 (0.33) TAS1R3TAS1R1THRBGAATP53
SCHEMBL13191290 0.83 TAS1R3 (0.33) TAS1R3TAS1R1THRBGAATP53
SCHEMBL15499183 0.82 TAS1R3 (0.33) TAS1R3TAS1R1THRBGAATP53
SCHEMBL16361931 0.81 ALDH1A1 (0.38) MAPTNPSR1ALDH1A1

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
US-20100330474-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CARTRIDGE, AND IMAGE-FORMING APPARATUS MITSUBISHI CHEMICAL CORPORATION (JP) 2010-12-30 US disclosed