SCHEMBL3671502

SCHEMBL3671502

CC1=C(c2ccc(C)cc2C)C(=O)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
EGFR P00533 1/20 0.42
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ROS1 P08922 1/20 0.39
CDK5 Q00535 1/20 0.39
ACVR1 Q04771 1/20 0.39
LRRK2 Q5S007 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
ALPL P05186 2/20 0.38

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
SCHEMBL12424741 0.79 GAA (0.49) GAAMAPTLMNAMAOAMAOB
SCHEMBL9065054 0.79 PIK3CA (0.44) GAAMAPTLMNAMAOAMAOB
SCHEMBL3675474 0.77 GSK3B (0.48) KMT2AMEN1
SCHEMBL19583334 0.74 GSK3B (0.54) MAOAMAOBACVR1LRRK2PTGS2
SCHEMBL94488 0.73 PTGS2 (0.37) EGFRPTGS2
SCHEMBL1164429 0.72 PTGS2 (0.58) LMNAMAOAMAOBEGFRKMT2A
SCHEMBL5028664 0.71 TDP2 (0.43) MAPTEGFRCA9CA1CA2
SCHEMBL12577526 0.71 GAA (0.41) GAAMAPTLMNAMAOAMAOB
SCHEMBL29568321 0.71 PPOX (0.56) MAOAMAOBEGFRCA9CA1
SCHEMBL145900 0.71 PPOX (0.56) MAOAMAOBEGFRCA9CA1

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
US-7825188-B2 Thermoplastic elastomer with acyloxyphenyl hard block segment DESIGNER MOLECULES, INC. (US) 2010-11-02 US claimed
WO-2008077141-A1 RUBBER EPOXY CURATIVES AND METHODS FOR USE THEREOF DESIGNER MOLECULES, INC. (US) 2008-06-26 WO claimed
US-20080146738-A1 RUBBER EPOXY CURATIVES AND METHODS FOR USE THEREOF DESIGNER MOLECULES, INC. 2008-06-19 US claimed
US-7825188-B2 Thermoplastic elastomer with acyloxyphenyl hard block segment DESIGNER MOLECULES, INC. (US) 2010-11-02 US disclosed
WO-2008077141-A1 RUBBER EPOXY CURATIVES AND METHODS FOR USE THEREOF DESIGNER MOLECULES, INC. (US) 2008-06-26 WO disclosed
US-20080146738-A1 RUBBER EPOXY CURATIVES AND METHODS FOR USE THEREOF DESIGNER MOLECULES, INC. 2008-06-19 US disclosed