SCHEMBL2911940

SCHEMBL2911940

CCCCc1ccc(C#Cc2ccc(-c3ccc(C(=O)C(C)(C)Br)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.56
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
RARA P10276 1/20 0.50
MAPT P10636 1/20 0.50
MTOR P42345 1/20 0.50
KMT2A Q03164 1/20 0.50
PLK1 P53350 1/20 0.46
HSD17B10 Q99714 2/20 0.44
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 2/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL13176021 0.92 RARB (0.66) RARBALDH1A1MEN1RARAMAPT
SCHEMBL13176015 0.82 RARB (0.48) RARBALDH1A1MEN1RARAMAPT
SCHEMBL2917393 0.81 ALDH1A1 (0.47) RARBALDH1A1RARAMAPTPLK1
SCHEMBL28255947 0.81 HSD17B10 (0.62) RARBALDH1A1MEN1RARAMAPT
SCHEMBL2915987 0.80 ALDH1A1 (0.49) RARBALDH1A1MEN1RARAMAPT
SCHEMBL9418034 0.78 HSD17B10 (0.56) RARBALDH1A1KMT2APLK1HSD17B10
SCHEMBL1811178 0.78 RARB (0.73) RARBALDH1A1MEN1RARAMAPT
SCHEMBL1815479 0.77 RARB (0.53) RARBALDH1A1MEN1RARAMAPT
SCHEMBL16487163 0.77 RARB (0.66) RARBALDH1A1MEN1RARAMAPT
SCHEMBL2402922 0.77 RARB (0.71) RARBALDH1A1MEN1RARAMAPT

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