SCHEMBL9574875

SCHEMBL9574875

CCCCCCCCC(=O)OC1(C(N)=O)C=CC(c2ccccc2)C=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
PPARG P37231 3/20 0.37
EPHX2 P34913 1/20 0.36
PTPN1 P18031 1/20 0.36
SOAT1 P35610 2/20 0.36
POLM Q9NP87 1/20 0.36
POLK Q9UBT6 1/20 0.36
POLL Q9UGP5 1/20 0.36
POLH Q9Y253 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2A P08913 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL9331791 0.90 CES2 (0.40) CES2CES1PPARGEPHX2PTPN1
SCHEMBL8380021 0.90 CES2 (0.40) CES2CES1PPARGEPHX2PTPN1
SCHEMBL9842927 0.84 CES2 (0.40) CES2CES1PPARGEPHX2PTPN1
SCHEMBL10445787 0.79 MAPT (0.34) CES2CES1PPARGPOLMPOLK
SCHEMBL4184936 0.75 PPARG (0.45) PPARGMEN1KMT2AKDM4ERECQL
SCHEMBL9462288 0.75 PPARG (0.45) PPARGMEN1KMT2AKDM4ERECQL
SCHEMBL11363522 0.75 PPARG (0.45) PPARGMEN1KMT2AKDM4ERECQL
SCHEMBL5828433 0.75 PPARG (0.45) PPARGMEN1KMT2AKDM4ERECQL
SCHEMBL4083717 0.75 PPARG (0.43) CES2CES1PPARGMEN1KMT2A
SCHEMBL10580595 0.74 PPARG (0.44) PPARGMEN1KMT2AKDM4ERECQL

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
EP-0571277-A1 Antiferroelectric liquid crystal compound Showa Shell Sekiyu Kabushiki Kaisha (JP) 1993-11-24 EP disclosed