SCHEMBL7769396

SCHEMBL7769396

CCCCCCCCCC(=O)Oc1ccc(-c2ccccc2C(=O)Oc2ccc(OC(C)CCCCCCCC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
POLM Q9NP87 2/20 0.40
POLK Q9UBT6 2/20 0.40
POLL Q9UGP5 2/20 0.40
POLH Q9Y253 2/20 0.40
GPR88 Q9GZN0 1/20 0.40
ESR1 P03372 1/20 0.40
PPARA Q07869 2/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
LTB4R2 Q9NPC1 2/20 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
SCHEMBL7777002 1.00 ALDH1A1 (0.45) ALDH1A1KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL7774571 1.00 ALDH1A1 (0.45) ALDH1A1KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL7776180 1.00 ALDH1A1 (0.45) ALDH1A1KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL7775496 1.00 ALDH1A1 (0.45) ALDH1A1KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL7773810 1.00 ALDH1A1 (0.45) ALDH1A1KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL7773650 1.00 ALDH1A1 (0.45) ALDH1A1KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL7776817 0.89 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4EMEN1RECQL
SCHEMBL7775502 0.88 ALDH1A1 (0.39) ALDH1A1KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL7776131 0.87 ALDH1A1 (0.41) ALDH1A1KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL7769909 0.87 ALDH1A1 (0.41) ALDH1A1KMT2ASMN1; SMN2KDM4EMEN1

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-0844294-B1 Racemic compound and anti-ferroelectric liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL CO (JP) 2001-08-16 EP disclosed
US-5985172-A LARGE-SIZED LIQUID CRYSTAL DISPLAY DEVICE OF HIGHER PERFORMANCE THAT HAS A HIGHER DISPLAY CAPACITY AND A HIGHER DISPLAY QUALITY MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-11-16 US disclosed
EP-0844294-A1 Racemic compound and anti-ferroelectric liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-05-27 EP disclosed