SCHEMBL13176015

SCHEMBL13176015

CCCCc1ccc(C#Cc2ccc(-c3ccc(C(=O)C(C)(C)N4CCCCC4)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.48
HRH3 Q9Y5N1 2/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RARA P10276 1/20 0.43
MAPT P10636 1/20 0.43
MTOR P42345 1/20 0.43
KMT2A Q03164 1/20 0.43
AVPR2 P30518 1/20 0.42
OXTR P30559 1/20 0.42
AVPR1A P37288 1/20 0.42
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
MMP13 P45452 2/20 0.40
PLK1 P53350 1/20 0.39
MGLL Q99685 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL2915987 0.89 ALDH1A1 (0.49) RARBHRH3MEN1ALDH1A1RARA
SCHEMBL2911940 0.82 RARB (0.56) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL13657327 0.77 THRA (0.58) RARBHRH3MEN1ALDH1A1RARA
SCHEMBL28255947 0.74 HSD17B10 (0.62) RARBHRH3MEN1ALDH1A1RARA
SCHEMBL13176021 0.73 RARB (0.66) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL51732 0.72 THRA (0.61) RARBHRH3MEN1ALDH1A1RARA
SCHEMBL2914565 0.72 ALDH1A1 (0.56) HRH3ALDH1A1MAPTMMP2MMP9
SCHEMBL14225072 0.72 ALDH1A1 (0.44) HRH3MEN1ALDH1A1MAPTKMT2A
SCHEMBL9418034 0.72 HSD17B10 (0.56) RARBALDH1A1KMT2APLK1THRA
SCHEMBL1811178 0.72 RARB (0.73) RARBMEN1ALDH1A1RARAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1388538-B1 Polymerisation Initiator MERCK PATENT GMBH (DE) 2010-09-01 EP disclosed