SCHEMBL9724798

SCHEMBL9724798

CCCCCCCC(=O)Oc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RARB P10826 3/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ESR1 P03372 1/20 0.43
CA2 P00918 2/20 0.43
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1B P28222 1/20 0.42
RET P07949 1/20 0.42
MEN1 O00255 1/20 0.41
SLC22A2 O15244 1/20 0.41
TMPRSS2 O15393 1/20 0.41

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
SCHEMBL11449013 0.91 KMT2A (0.56) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6680085 0.91 KMT2A (0.56) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6715661 0.91 KMT2A (0.56) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8748187 0.91 KMT2A (0.56) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9776353 0.91 KMT2A (0.56) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11449330 0.91 KMT2A (0.56) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11261478 0.91 KMT2A (0.56) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL18087016 0.91 KMT2A (0.62) KMT2ASMN1; SMN2NPC1RAB9ARARB
SCHEMBL5253812 0.89 KMT2A (0.54) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL18087026 0.89 KMT2A (0.60) KMT2ASMN1; SMN2NPC1RAB9ARARB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5100579-A POLYPHENYL-BASED ESTER COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING SAME AJINOMOTO CO., INC. (JP) 1992-03-31 US disclosed
EP-0191600-B1 POLYPHENYL-BASED ESTER COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING SAME AJINOMOTO CO., INC. (JP) 1991-12-27 EP disclosed
EP-0174816-B1 BIPHENYL-BASED DIESTER COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING SAME AJINOMOTO CO., INC. (JP) 1990-05-23 EP disclosed
US-4911861-A Mixture of at least two components AJINOMOTO CO., INC. (JP) 1990-03-27 US disclosed
US-4728458-A FERROELECTRIC AJINOMOTO CO., LTD. (JP) 1988-03-01 US disclosed
US-4695651-A Biphenyl-based diester compounds and liquid crystal compositions containing same AJINOMOTO CO., INC. (JP) 1987-09-22 US disclosed
EP-0191600-A2 Polyphenyl-based ester compounds and liquid crystal compositions containing same AJINOMOTO CO., INC. (JP) 1986-08-20 EP disclosed
EP-0174816-A2 Biphenyl-based diester compounds and liquid crystal compositions containing same AJINOMOTO CO., INC. (JP) 1986-03-19 EP disclosed