SCHEMBL8633488

SCHEMBL8633488

CCCCCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(C)CCCCC)cc2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
CA2 P00918 3/20 0.38
HTR1A P08908 1/20 0.38
HTR1B P28222 1/20 0.38
PRKCG P05129 2/20 0.37
PRKCB P05771 2/20 0.37
PRKCA P17252 2/20 0.37
PRKCE Q02156 2/20 0.37
PRKCD Q05655 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PRSS1 P07477 1/20 0.36
TMPRSS15 P98073 1/20 0.36
RET P07949 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
SCHEMBL7776182 1.00 KMT2A (0.42) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7797626 0.89 ALDH1A1 (0.43) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7776131 0.88 ALDH1A1 (0.41) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7797614 0.87 ALDH1A1 (0.46) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9239149 0.87 ALDH1A1 (0.46) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7789247 0.87 ALDH1A1 (0.46) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7797623 0.87 ALDH1A1 (0.46) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7796053 0.87 ALDH1A1 (0.46) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7798766 0.87 ALDH1A1 (0.46) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7789217 0.87 ALDH1A1 (0.46) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10053562-A None JP disclosed
JP-H1053562-A OPTICALLY ACTIVE COMPOUND AND ANTIFERROELECTRIC LIQUID CRYSTAL COMPOSITION CONTAINING THE COMPOUND MITSUBISHI GAS CHEM CO INC 1998-02-24 JP disclosed