SCHEMBL2909950

SCHEMBL2909950

CCCCCc1ccc(-c2ccc(-c3ccccc3)c(F)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.64
RARA P10276 2/20 0.60
RARG P13631 1/20 0.60
HSD11B1 P28845 2/20 0.51
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
MTOR P42345 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR2A P28223 1/20 0.44
GPR3 P46089 1/20 0.43

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
SCHEMBL20072541 0.95 RARB (0.58) RARBRARARARGHSD11B1MEN1
SCHEMBL14175167 0.94 RARB (0.66) RARBRARARARGMEN1ALDH1A1
SCHEMBL13310852 0.92 RARB (0.68) RARBRARARARGMEN1ALDH1A1
SCHEMBL14175166 0.92 RARB (0.64) RARBRARARARGMEN1ALDH1A1
SCHEMBL14175164 0.92 RARB (0.64) RARBRARARARGMEN1ALDH1A1
SCHEMBL9563730 0.92 RARB (0.68) RARBRARARARGMEN1ALDH1A1
SCHEMBL10693472 0.91 RARB (0.63) RARBRARARARGMEN1ALDH1A1
SCHEMBL9510907 0.91 RARB (0.63) RARBRARARARGMEN1ALDH1A1
SCHEMBL9513819 0.90 RARB (0.65) RARBRARARARGMEN1ALDH1A1
SCHEMBL11957384 0.90 RARB (0.61) RARBRARARARGMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1388538-B1 Polymerisation Initiator MERCK PATENT GMBH (DE) 2010-09-01 EP disclosed
EP-1388538-B1 Polymerisation Initiator MERCK PATENT GMBH (DE) 2010-09-01 EP disclosed
EP-1388538-A1 Polymerisation Initiator MERCK PATENT GmbH (DE) 2004-02-11 EP disclosed
US-5382380-A Ferroelectric material for displays KANTO KAGAKU KABUSHIKI KAISHA (JP) 1995-01-17 US disclosed
EP-0360042-B1 p-Terphenyl derivatives and liquid crystalline compositions KANTO KAGAKU (JP) 1993-11-03 EP disclosed
EP-0360042-A1 p-Terphenyl derivatives and liquid crystalline compositions KANTO KAGAKU KABUSHIKI KAISHA (JP) 1990-03-28 EP disclosed