SCHEMBL8890941

SCHEMBL8890941

CCCCCCCCCc1ncc(-c2ccc(-c3ccc(CCCCCC)cc3)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.48
RARB P10826 5/20 0.47
RARA P10276 1/20 0.47
MTOR P42345 1/20 0.47
NPC1 O15118 1/20 0.46
STAT3 P40763 1/20 0.46
ATM Q13315 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
ESR1 P03372 2/20 0.44

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
SCHEMBL8417581 0.85 MAPT (0.52) RAB9AMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL7933637 0.85 RAB9A (0.54) RAB9AMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL8883086 0.85 RAB9A (0.54) RAB9AMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL8881686 0.83 CASP3 (0.52) RAB9AMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL8415817 0.81 RAB9A (0.50) RAB9AMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL6418550 0.79 HSD17B10 (0.57) RAB9AMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL8545371 0.79 KDM4E (0.59) RAB9AMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL8884801 0.79 KDM4E (0.59) RAB9AMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL8769157 0.79 KDM4E (0.59) RAB9AMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL14703081 0.78 HSD17B10 (0.56) RAB9AMAPTKDM4EHSD17B10ALDH1A1

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
US-5595685-A THIAZOLE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 1997-01-21 US disclosed
EP-0439170-B1 Mesomorphic compound, liquid crystal composition containing same, liquid crystal device using same and display apparatus CANON KK (JP) 1995-04-19 EP disclosed
EP-0439170-A2 Mesomorphic compound, liquid crystal composition containing same, liquid crystal device using same and display apparatus CANON KABUSHIKI KAISHA (JP) 1991-07-31 EP disclosed