SCHEMBL19513638

SCHEMBL19513638

COc1ccc(C(=O)OC2CCC(OC(=O)C3CCC(C(=O)O)CC3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.52
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CES2 O00748 2/20 0.44
▸ CES1 P23141 2/20 0.44
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ STS P08842 4/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ SCN1A P35498 2/20 0.42
▸ SCN2A Q99250 2/20 0.42
▸ SCN3A Q9NY46 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL19513561 1.00 GAA (0.52) GAANPC1RAB9ACA1CA2
SCHEMBL19431496 0.94 GAA (0.57) GAANPC1RAB9ACA1CA2
SCHEMBL19431523 0.89 GAA (0.52) GAANPC1RAB9ACA1CA2
SCHEMBL19431524 0.89 GAA (0.52) GAANPC1RAB9ACA1CA2
SCHEMBL19431461 0.89 ALDH1A1 (0.45) NPC1RAB9ACA1CA2KMT2A
SCHEMBL19431583 0.89 ALDH1A1 (0.45) NPC1RAB9ACA1CA2KMT2A
SCHEMBL19431457 0.87 ELANE (0.43) GAANPC1RAB9ASTSKMT2A
SCHEMBL19431586 0.87 ELANE (0.43) GAANPC1RAB9ASTSKMT2A
SCHEMBL19431584 0.87 ELANE (0.48) GAASTSKMT2ASCN1ASCN2A
SCHEMBL19431459 0.87 ELANE (0.48) GAASTSKMT2ASCN1ASCN2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11193065-B2 Liquid crystal composition, method of producing the same, and retardation film constituted from the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-12-07 — — US disclosed
US-20200165519-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND RETARDATION PLATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-28 — — US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 — — US disclosed
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