SCHEMBL11097632

SCHEMBL11097632

CC1CCCCN1c1ccc(Cl)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.57
MYC P01106 2/20 0.50
NR4A1 P22736 1/20 0.50
GPBAR1 Q8TDU6 1/20 0.46
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
HSD11B1 P28845 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.41
NR1I2 O75469 2/20 0.41
SMARCA2 P51531 2/20 0.41
SMARCA4 P51532 2/20 0.41
NR1H3 Q13133 2/20 0.41
PBRM1 Q86U86 2/20 0.41
NR1H2 P55055 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41

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
SCHEMBL11106979 0.84 GFER (0.57) GFERMYCNR4A1GPBAR1HPGD
SCHEMBL11107477 0.84 GFER (0.81) GFERNR4A1GPBAR1HPGDALDH1A1
SCHEMBL4938129 0.81 GFER (0.54) GFERHPGDTSHRLMNACA1
SCHEMBL1672019 0.80 HTT (0.65) GFERHPGDALDH1A1LMNAMAPT
SCHEMBL11196279 0.79 EGFR (0.53) GFERALDH1A1TSHRLMNAMAPT
SCHEMBL11123699 0.77 MYC (0.46) MYCNR4A1ALDH1A1TSHRLMNA
SCHEMBL11008136 0.77 GFER (0.69) GFERGPBAR1HPGDALDH1A1HSD11B1
SCHEMBL11102299 0.76 ALDH1A1 (0.57) GFERMYCNR4A1ALDH1A1LMNA
SCHEMBL11102485 0.76 MAPT (0.64) MYCNR4A1HPGDALDH1A1LMNA
SCHEMBL6825989 0.76 GFER (0.50) GFERMYCNR4A1HPGDALDH1A1

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