SCHEMBL11123738

SCHEMBL11123738

CCC1CCC(C)N(c2ccc([N+](=O)[O-])cc2C(=O)O)C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.57
MAPT P10636 5/20 0.51
ALDH1A1 P00352 8/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 1/20 0.44
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL11122356 0.81 GFER (0.50) HTTMAPTALDH1A1TDP1GAA
SCHEMBL1672019 0.79 HTT (0.65) HTTMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL6714245 0.77 MEN1 (0.54) MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL1672017 0.72 HTT (1.00) HTTMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL11105710 0.72 HTT (0.73) HTTMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL11161561 0.72 HTT (0.73) HTTMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL6894325 0.72 ALDH1A1 (0.71) HTTMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL11097076 0.72 HTT (0.60) HTTMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL11108040 0.72 HTT (0.60) HTTMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL11102744 0.71 ALDH1A1 (0.78) HTTMAPTALDH1A1SMN1; SMN2LMNA

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
EP-0063826-B1 2-AMINO-BENZOIC-ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES OR INTERMEDIATES Dr. Karl Thomae GmbH (DE) 1984-12-05 EP disclosed
EP-0023569-B1 DERIVATIVES OF CARBOXYLIC ACIDS, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1983-06-22 EP disclosed
EP-0063826-A2 2-Amino-benzoic-acid derivatives, their preparation and their use as medicines or intermediates Dr. Karl Thomae GmbH (DE) 1982-11-03 EP disclosed
EP-0023569-A1 Derivatives of carboxylic acids, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 EP disclosed