SCHEMBL8302089

SCHEMBL8302089

CCCCCCCCOc1ccc(-c2nc3cc(CCCC)ccc3o2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.44
▸ ESR2 Q92731 2/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HPSE Q9Y251 6/20 0.42
▸ S1PR1 P21453 3/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ PPARD Q03181 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
SCHEMBL9001581 0.84 MAPT (0.53) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL8304835 0.83 MAPT (0.47) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL8305255 0.83 MAPT (0.47) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL9001579 0.81 MAPT (0.53) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL8301421 0.81 MAPT (0.47) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL8302228 0.81 MAPT (0.47) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL9001595 0.79 KDM4E (0.59) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL8303921 0.79 NPC1 (0.52) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL10977878 0.78 RARB (0.56) MAPTMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL10976220 0.78 RARB (0.56) MAPTMEN1ALDH1A1KMT2AHSD17B10

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-0462578-B1 Mesomorphic compound for use in liquid crystal composition and liquid crystal device and display apparatus using same CANON KK (JP) 1999-09-22 — — EP disclosed
US-5244596-A Benzoxazoles CANON KABUSHIKI KAISHA (JP) 1993-09-14 — — US disclosed
EP-0462578-A1 Mesomorphic compound for use in liquid crystal composition and liquid crystal device and display apparatus using same CANON KABUSHIKI KAISHA (JP) 1991-12-27 — — EP disclosed
Send feedback