SCHEMBL7760864

SCHEMBL7760864

CCCCCCCCCC(=O)Oc1ccc(C(=O)O)c(-c2ccc(C(=O)OC(CC)CC)c(F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.45
RARA P10276 3/20 0.45
RARG P13631 2/20 0.45
MCL1 Q07820 1/20 0.43
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
PTPN11 Q06124 5/20 0.38
LTB4R2 Q9NPC1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CNR2 P34972 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
SCHEMBL8908795 0.90 ALDH1A1 (0.50) RARBRARARARGMCL1KMT2A
SCHEMBL8201152 0.87 RARB (0.47) RARBRARARARGMCL1PTPN11
SCHEMBL8190501 0.87 RARB (0.47) RARBRARARARGMCL1PTPN11
SCHEMBL8200474 0.87 RARB (0.47) RARBRARARARGMCL1KMT2A
SCHEMBL8201029 0.87 RARB (0.47) RARBRARARARGMCL1PTPN11
SCHEMBL9239152 0.85 ALDH1A1 (0.46) RARBRARARARGMCL1KMT2A
SCHEMBL6936897 0.83 KMT2A (0.42) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL6563808 0.81 RARB (0.39) RARBRARARARGMCL1LTB4R2
SCHEMBL8203165 0.80 RARB (0.53) RARBRARARARGKMT2AKDM4E
SCHEMBL8189325 0.80 RARB (0.53) RARBRARARARGKMT2AKDM4E

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-0829468-B1 Swallow-tailed compound and ferrielectric liquid crystal composition containing the same MITSUBISHI GAS CHEMICAL CO (JP) 2001-06-13 EP disclosed
US-5938973-A MIXTURE OF 4-ALKYLCARBONYLOXYBENZOIC ACID ESTER AND 4-ALKYLOXY-4*-BIPHENYLCARBOXYLIC ESTER DERIVATIVES MITSUBISHI GAS CHEMICAL COMPANY (JP) 1999-08-17 US disclosed
EP-0829468-A1 Swallow-tailed compound and ferrielectric liquid crystal composition containing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-03-18 EP disclosed