SCHEMBL8553936

SCHEMBL8553936

CCCCCCCCC1Cc2ccc(-c3ncc(-c4ccc(OC(=O)CCCCCC)cc4)cn3)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ESR1 P03372 3/20 0.36
RARB P10826 3/20 0.36
CA2 P00918 3/20 0.36
RET P07949 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
SCHEMBL8553224 0.85 NPC1 (0.45) SMN1; SMN2RAB9ANPC1ALDH1A1RARB
SCHEMBL8553403 0.82 RAB9A (0.43) KMT2ASMN1; SMN2RAB9ANPC1MEN1
SCHEMBL8551418 0.82 MCHR1 (0.37) SMN1; SMN2RAB9ANPC1MAPK1RARB
SCHEMBL8558587 0.82 FYN (0.36) KMT2ASMN1; SMN2RAB9ANPC1MEN1
SCHEMBL11143544 0.82 CYP3A4 (0.47) KMT2ASMN1; SMN2RAB9ANPC1OPRM1
SCHEMBL11135163 0.82 CYP3A4 (0.47) KMT2ASMN1; SMN2RAB9ANPC1OPRM1
SCHEMBL11139072 0.82 CYP3A4 (0.47) KMT2ASMN1; SMN2RAB9ANPC1OPRM1
SCHEMBL11140457 0.82 CYP3A4 (0.47) KMT2ASMN1; SMN2RAB9ANPC1OPRM1
SCHEMBL11141766 0.82 CYP3A4 (0.47) KMT2ASMN1; SMN2RAB9ANPC1OPRM1
SCHEMBL11140220 0.82 CYP3A4 (0.47) KMT2ASMN1; SMN2RAB9ANPC1OPRM1

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-0546338-B1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1998-02-04 EP disclosed
US-5385692-A Improved response CANON KABUSHIKI KAISHA (JP) 1995-01-31 US disclosed
EP-0546338-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1993-06-16 EP disclosed