SCHEMBL9343191

SCHEMBL9343191

CCCCc1ccc(-c2cnc(-c3ccc(OCc4ccccc4)cc3)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
EPHX2 P34913 1/20 0.52
BCHE P06276 3/20 0.52
SIGMAR1 Q99720 1/20 0.49
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
FFAR1 O14842 1/20 0.48
NPC1 O15118 2/20 0.48
MMP12 P39900 1/20 0.45

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
SCHEMBL7144403 0.95 RAB9A (0.56) LTA4HEPHX2BCHESIGMAR1RAB9A
SCHEMBL7090880 0.95 RAB9A (0.56) LTA4HEPHX2BCHESIGMAR1RAB9A
SCHEMBL10690206 0.88 RAB9A (0.55) LTA4HEPHX2BCHERAB9AKDM4E
SCHEMBL10694543 0.85 RAB9A (0.52) LTA4HEPHX2BCHERAB9AKDM4E
SCHEMBL10692873 0.85 RAB9A (0.59) RAB9AKDM4ESMN1; SMN2HSD17B10MEN1
SCHEMBL10691422 0.85 RAB9A (0.59) RAB9AKDM4ESMN1; SMN2HSD17B10MEN1
SCHEMBL10694475 0.85 RAB9A (0.52) LTA4HEPHX2BCHERAB9AKDM4E
SCHEMBL4059201 0.85 LTA4H (0.62) LTA4HEPHX2BCHESIGMAR1FFAR1
SCHEMBL27312245 0.85 LTA4H (0.70) LTA4HEPHX2BCHESIGMAR1FFAR1
SCHEMBL10693474 0.84 RAB9A (0.62) RAB9AKDM4ESMN1; SMN2HSD17B10MEN1

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
EP-0313284-B1 2,5-Diphenyl pyrimidine compounds and liquid crystal compositions containing them CHISSO CORP (JP) 1994-07-27 EP disclosed
US-4900472-A QUICK RESPONSE CHISSO CORPORATION (JP) 1990-02-13 US disclosed
EP-0313284-A2 2,5-Diphenyl pyrimidine compounds and liquid crystal compositions containing them Chisso Corporation (JP) 1989-04-26 EP disclosed