SCHEMBL7317416

SCHEMBL7317416

Cc1ccc(C)c([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ALDH1A1 P00352 5/20 0.52
TSHR P16473 7/20 0.49
CYP3A4 P08684 1/20 0.41
POLB P06746 3/20 0.41
HPGD P15428 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL27550706 0.89 TDP1 (0.54) TDP1L3MBTL1ALDH1A1TSHRCYP3A4
SCHEMBL1161744 0.87 TDP1 (0.49) TDP1L3MBTL1ALDH1A1TSHRCYP3A4
SCHEMBL395027 0.87 TDP1 (0.62) TDP1L3MBTL1ALDH1A1TSHRCYP3A4
SCHEMBL2598195 0.87 TDP1 (0.49) TDP1L3MBTL1ALDH1A1TSHRCYP3A4
SCHEMBL30527914 0.87 TDP1 (0.62) TDP1L3MBTL1ALDH1A1TSHRCYP3A4
SCHEMBL28590951 0.87 TDP1 (0.53) TDP1L3MBTL1ALDH1A1TSHRCYP3A4
SCHEMBL7436564 0.85 TDP1 (0.47) TDP1L3MBTL1ALDH1A1TSHRCYP3A4
SCHEMBL10908841 0.84 ALDH1A1 (0.52) TDP1L3MBTL1ALDH1A1TSHRCYP3A4
SCHEMBL28307884 0.83 TDP1 (0.45) TDP1L3MBTL1ALDH1A1TSHRCYP3A4
SCHEMBL7988682 0.82 ALDH1A1 (0.50) TDP1L3MBTL1ALDH1A1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329675-B2 Substituted azabicyclic compounds AVENTIS PHARMA LIMITED (GB) 2008-02-12 US disclosed
US-6245716-B1 LOW DOSAGE; NONPHYTOTOXIC NIPPON SODA CO., LTD. (JP) 2001-06-12 US disclosed
US-RE31617-E ANTICOAGULANTS; HYPOTENSIVE AND BRONCHODILATOR AGENTS BRISTOL-MYERS COMPANY (US) 1984-06-26 US disclosed
US-3932407-A BRONCHODILATORS, HYPOTENSIVE AGENTS, ANTICOAGULANTS BRISTOL-MYERS COMPANY (US) 1976-01-13 US disclosed