SCHEMBL16443552

SCHEMBL16443552

C=C(C)c1ccccc1-c1ccccc1C(=C)C.C=Cc1ccccc1-c1ccccc1C=C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.31
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL9246872 0.84 ALDH1A1 (0.43) ALDH1A1CYP3A4MEN1KMT2ARAB9A
SCHEMBL489258 0.84 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL1208344 0.83 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9MEN1KMT2A
SCHEMBL132630 0.78 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL27497610 0.77 CYP2C9 (0.49) ALDH1A1CYP3A4CYP1A2CYP2C9KMT2A
SCHEMBL7107668 0.76 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL28281823 0.76 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL10945683 0.76 ALDH1A1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL15668290 0.76 BCAT2 (0.53) ALDH1A1RAB9A
SCHEMBL4218701 0.76 RAB9A (0.47) ALDH1A1CYP3A4CYP2D6MEN1KMT2A

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
US-9663688-B2 Optical member and ultraviolet-curable adhesive to be used for producing the same NIPPONKAYAKU KABUSHIKIKAISHA (JP) 2017-05-30 US disclosed
US-20150044479-A1 Ultraviolet-Curable Resin Composition NIPPON KAYAKU KABUSHIKIKAISHA (JP) 2015-02-12 US disclosed