SCHEMBL3673529

SCHEMBL3673529

CCOc1ccc(CC2=CC(=O)NC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
NQO1 P15559 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 2/20 0.42
DHFR P00374 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ESR2 Q92731 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.40
GPR84 Q9NQS5 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
SCHEMBL3677950 0.84 MEN1 (0.51) MAPTALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL9508340 0.83 MAOA (0.35) L3MBTL1
SCHEMBL3684146 0.78 SRD5A2 (0.47) HPGDL3MBTL1
SCHEMBL3791542 0.75 CYP3A4 (0.46) MAPTALDH1A1L3MBTL1
SCHEMBL3676453 0.74 NQO1 (0.47) MAPTALDH1A1NQO1SMN1; SMN2HPGD
SCHEMBL2488793 0.73 NQO1 (0.74) MAPTALDH1A1NQO1SMN1; SMN2HPGD
Ammonia Solution, Strong SCHEMBL27962960 0.73 MAOA (0.47) SMN1; SMN2
Ethylene SCHEMBL28271283 0.71 MAOA (0.46) SMN1; SMN2
SCHEMBL18973131 0.71 HAO1 (0.38) MAPTALDH1A1LMNAHTTGAA
SCHEMBL18973135 0.71 MAPT (0.40) MAPTALDH1A1HPGDLMNA

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