SCHEMBL3671500

SCHEMBL3671500

Cc1ccc(CC2=CC(=O)NC2=O)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PYCR1 P32322 1/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
CASP1 P29466 1/20 0.33
HBB P68871 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ROS1 P08922 1/20 0.32
CDK5 Q00535 1/20 0.32
ACVR1 Q04771 1/20 0.32

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
SCHEMBL3675473 0.80 AR (0.42) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL3675112 0.76 DAO (0.41) ALDH1A1MAPTHPGDHTT
SCHEMBL28342480 0.74 DAO (0.34) MAPT
SCHEMBL1133787 0.73 GSK3B (0.34) MAPTKMT2AMEN1LMNA
SCHEMBL1334773 0.72 GSK3A (0.32)
SCHEMBL3299248 0.72 PYCR1 (0.47) GAANPC1RAB9AKDM4EALDH1A1
SCHEMBL9508340 0.69 MAOA (0.35) L3MBTL1KMT2AMEN1
SCHEMBL2479846 0.68 GAA (0.46) GAAMAPTKMT2AMEN1ROS1
SCHEMBL549018 0.67 MAOA (0.35) KMT2AMEN1
SCHEMBL19439526 0.67 DAO (0.44) GAAKDM4EALDH1A1POLBL3MBTL1

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