SCHEMBL7003338

SCHEMBL7003338

O=Cc1ccc([N+](=O)[O-])c(CC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.53
ABAT P80404 1/20 0.53
CYP1A2 P05177 2/20 0.53
VCAM1 P19320 1/20 0.49
ALDH3A1 P30838 2/20 0.46
ALDH1A1 P00352 6/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A3 P47895 1/20 0.42
XDH P47989 1/20 0.41
TTR P02766 1/20 0.41
CASP6 P55212 1/20 0.40
SRC P12931 1/20 0.40
SNCA P37840 1/20 0.39
BACE1 P56817 1/20 0.39
HPGD P15428 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
SCHEMBL6355401 0.88 CYP1A2 (0.65) ALDH5A1ABATCYP1A2VCAM1ALDH3A1
SCHEMBL7288138 0.82 ALDH5A1 (0.57) ALDH5A1ABATCYP1A2VCAM1ALDH3A1
SCHEMBL5882961 0.80 ALDH3A1 (0.58) ALDH5A1ABATCYP1A2VCAM1ALDH3A1
SCHEMBL28621032 0.79 ALDH5A1 (0.54) ALDH5A1ABATCYP1A2VCAM1ALDH3A1
SCHEMBL30208604 0.79 ALDH5A1 (0.54) ALDH5A1ABATCYP1A2VCAM1ALDH3A1
SCHEMBL9477038 0.79 CYP1A2 (0.57) CYP1A2ALDH1A1LMNACYP2C9CASP6
SCHEMBL7418264 0.79 CYP1A2 (0.57) CYP1A2ALDH1A1MAPTLMNACASP6
SCHEMBL25410628 0.78 CYP1A2 (0.55) CYP1A2MAPTCASP6
SCHEMBL6100112 0.78 CYP1A2 (0.55) CYP1A2ALDH1A1MAPTLMNACYP2C19
SCHEMBL16990700 0.78 CYP1A2 (0.55) CYP1A2ALDH1A1MAPTCYP2C19CASP6

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
CN-113336728-B Carbon monoxide fluorescent micelle probe and application 江苏省电力试验研究院有限公司 2022-03-29 CN disclosed
CN-113336728-A Carbon monoxide fluorescent micelle probe and application 江苏省电力试验研究院有限公司 2021-09-03 CN disclosed
EP-1299387-A1 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP disclosed
WO-2002004445-A1 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO disclosed