SCHEMBL7776131

SCHEMBL7776131

CCCCCCCCCC(=O)Oc1ccc(-c2ccccc2C(=O)Oc2ccc(OC(C)CCCCCCC)cc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
PTPN11 Q06124 1/20 0.39
FAAH O00519 2/20 0.38
KMT2A Q03164 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ESR1 P03372 1/20 0.37
POLM Q9NP87 1/20 0.37
POLK Q9UBT6 1/20 0.37
POLL Q9UGP5 1/20 0.37
POLH Q9Y253 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL7769909 1.00 ALDH1A1 (0.41) ALDH1A1PTPN11FAAHKMT2ASMN1; SMN2
SCHEMBL7777455 0.96 PTPN11 (0.39) ALDH1A1PTPN11FAAHKMT2ASMN1; SMN2
SCHEMBL7776182 0.88 KMT2A (0.42) ALDH1A1KMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL8633488 0.88 KMT2A (0.42) ALDH1A1KMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL7776817 0.88 ALDH1A1 (0.39) ALDH1A1PTPN11KMT2AMEN1MAPK1
SCHEMBL7775502 0.87 ALDH1A1 (0.39) ALDH1A1PTPN11KMT2ASMN1; SMN2MEN1
SCHEMBL7775496 0.87 ALDH1A1 (0.45) ALDH1A1PTPN11KMT2ASMN1; SMN2MEN1
SCHEMBL7773810 0.87 ALDH1A1 (0.45) ALDH1A1PTPN11KMT2ASMN1; SMN2MEN1
SCHEMBL7774571 0.87 ALDH1A1 (0.45) ALDH1A1PTPN11KMT2ASMN1; SMN2MEN1
SCHEMBL7773650 0.87 ALDH1A1 (0.45) ALDH1A1PTPN11KMT2ASMN1; SMN2MEN1

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-0807675-B1 Optically active compound, liquid crystal compositions containing the optically active compound, and liquid crystal display device MITSUBISHI GAS CHEMICAL CO (JP) 2001-08-22 EP disclosed
US-5840209-A DRIVEN BY A VOLTAGE CARRIED OUT BY SWITCHING AMONG ONE ANTI-FERROELECTRIC STATE AND TWO FERRIELECTRIC STATES MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-11-24 US disclosed
EP-0807675-A1 Optically active compound, liquid crystal compositions containing the optically active compound, and liquid crystal display device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1997-11-19 EP disclosed