SCHEMBL9512933

SCHEMBL9512933

CCCCCc1ccc(-c2ccc(-c3ccc(OCC)c(F)c3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.57
RARA P10276 2/20 0.57
RARG P13631 1/20 0.57
S1PR1 P21453 1/20 0.47
MAPT P10636 3/20 0.45
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
HTR2A P28223 1/20 0.44
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
MTOR P42345 1/20 0.43
CYP17A1 P05093 1/20 0.43
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL9512344 1.00 RARB (0.57) RARBRARARARGS1PR1MAPT
SCHEMBL10982640 0.99 RARB (0.59) RARBRARARARGS1PR1MAPT
SCHEMBL10982386 0.99 RARB (0.59) RARBRARARARGS1PR1MAPT
SCHEMBL10977419 0.99 RARB (0.59) RARBRARARARGS1PR1MAPT
SCHEMBL10983282 0.99 RARB (0.59) RARBRARARARGS1PR1MAPT
SCHEMBL11070096 0.99 RARB (0.59) RARBRARARARGS1PR1MAPT
SCHEMBL10978571 0.99 RARB (0.59) RARBRARARARGS1PR1MAPT
SCHEMBL10974844 0.99 RARB (0.59) RARBRARARARGS1PR1MAPT
SCHEMBL11067272 0.95 RARB (0.51) RARBRARARARGS1PR1MAPT
SCHEMBL9399749 0.91 RARB (0.57) RARBRARARARGS1PR1MAPT

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
EP-0281611-B1 LIQUID CRYSTAL PHASES FOR ELECTRO-OPTIC DISPLAY ELEMENTS BASED ON THE ECB EFFECT MERCK PATENT GMBH (DE) 1993-11-24 EP disclosed
EP-0281611-A1 LIQUID CRYSTAL PHASES FOR ELECTRO-OPTIC DISPLAY ELEMENTS BASED ON THE ECB EFFECT. MERCK PATENT GMBH (DE) 1988-09-14 EP disclosed