SCHEMBL2910489

SCHEMBL2910489

CCCCCc1ccc(-c2ccc(-c3ccc(C(=O)C(C)(C)Br)cc3)c(F)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 11/20 0.65
▸ RARA P10276 2/20 0.56
▸ RARG P13631 1/20 0.56
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MTOR P42345 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ THRA P10827 3/20 0.45
▸ THRB P10828 3/20 0.45
▸ MPL P40238 2/20 0.43
▸ S1PR1 P21453 1/20 0.41
▸ S1PR3 Q99500 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
SCHEMBL13175602 0.90 RARB (0.64) RARBRARARARGMEN1ALDH1A1
SCHEMBL9230278 0.85 RARB (0.71) RARBRARARARGMEN1ALDH1A1
SCHEMBL14175167 0.83 RARB (0.66) RARBRARARARGMEN1ALDH1A1
SCHEMBL2913907 0.82 RARB (0.55) RARBRARARARGMEN1ALDH1A1
SCHEMBL12437027 0.82 RARB (0.55) RARBRARARARGMEN1ALDH1A1
SCHEMBL2918064 0.82 RARB (0.67) RARBRARARARGMEN1ALDH1A1
SCHEMBL13310852 0.82 RARB (0.68) RARBRARARARGMEN1ALDH1A1
SCHEMBL14175164 0.82 RARB (0.64) RARBRARARARGMEN1ALDH1A1
SCHEMBL14175166 0.82 RARB (0.64) RARBRARARARGMEN1ALDH1A1
SCHEMBL9563730 0.82 RARB (0.68) 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 2 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-A1 Polymerisation Initiator MERCK PATENT GmbH (DE) 2004-02-11 — — EP disclosed
Send feedback