SCHEMBL6913541

SCHEMBL6913541

CCCc1cc2ccccc2c(O)c1CCC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.49
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.42
CFTR P13569 2/20 0.40
ME2 P23368 1/20 0.38
ME1 P48163 1/20 0.38
ME3 Q16798 1/20 0.38
NCEH1 Q6PIU2 1/20 0.38
POLB P06746 1/20 0.38
GPR35 Q9HC97 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL887833 0.87 KDM4E (0.49) KDM4EALDH1A1HPGDGAACFTR
SCHEMBL17329242 0.86 GPR84 (0.51) GPR84KDM4EALDH1A1HPGDGAA
SCHEMBL11221690 0.85 KDM4E (0.50) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL11878311 0.84 KDM4E (0.51) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL9456775 0.84 KDM4E (0.51) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL11138231 0.84 KDM4E (0.51) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL11131102 0.84 KDM4E (0.51) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL9456470 0.84 KDM4E (0.51) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL9456551 0.84 KDM4E (0.51) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL9456567 0.84 KDM4E (0.51) KDM4EALDH1A1HPGDGAAGLA

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-20040075802-A1 Sealant for liquid crystal display cell, composition for liquid crystal display cell sealant and liquid crystal display element MITSUI CHEMICALS, INC. (JP) 2004-04-22 US disclosed
EP-1153952-A1 SEALING AGENT FOR LIQUID-CRYSTAL DISPLAY CELL, COMPOSITION FOR SEALING AGENT FOR LIQUID-CRYSTAL DISPLAY CELL, AND LIQUID-CRYSTAL DISPLAY ELEMENT Mitsui Chemicals, Inc. (JP) 2001-11-14 EP disclosed
US-4323714-A Alkylation of hydroxy-substituted aromatic compounds UOP INC. (US) 1982-04-06 US disclosed