SCHEMBL19863731

SCHEMBL19863731

COc1ccc(C2(c3ccc(OC(=O)c4ccc(C(=O)Oc5ccc(C6(c7ccc(OC(=O)c8cccc(C(C)=O)c8)c(C)c7)CCCCC6)cc5C)cc4)cc3)CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 12/20 0.43
▸ MAPT P10636 5/20 0.43
▸ GAA P10253 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL19863502 0.91 PPARA (0.44) KMT2AMAPTPPARASMN1; SMN2MEN1
SCHEMBL13656590 0.91 NPSR1 (0.47) KMT2AMAPTGAANPSR1SMN1; SMN2
SCHEMBL14007593 0.89 PPARA (0.44) KMT2AMAPTGAAPPARASMN1; SMN2
SCHEMBL139342 0.89 PPARA (0.46) KMT2AMAPTPPARASMN1; SMN2MEN1
SCHEMBL14007589 0.89 NPSR1 (0.47) KMT2AMAPTGAANPSR1SMN1; SMN2
SCHEMBL141558 0.89 GAA (0.49) KMT2AMAPTGAANPSR1SMN1; SMN2
SCHEMBL19500464 0.89 PPARA (0.42) KMT2AMAPTPPARASMN1; SMN2MEN1
SCHEMBL13656591 0.88 NPSR1 (0.45) KMT2AMAPTGAANPSR1SMN1; SMN2
SCHEMBL16062650 0.87 KMT2A (0.46) KMT2AMAPTGAAPPARASMN1; SMN2
SCHEMBL26431895 0.84 PPARA (0.45) KMT2AMAPTGAAPPARASMN1; SMN2

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-20180046098-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2018-02-15 — — US disclosed
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