SCHEMBL11106979

SCHEMBL11106979

CC1CCCCN1c1ccc(Br)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.57
MYC P01106 1/20 0.50
NR4A1 P22736 1/20 0.50
POLB P06746 1/20 0.41
TP53 P04637 4/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
NR1I2 O75469 2/20 0.39
SMARCA2 P51531 2/20 0.39
SMARCA4 P51532 2/20 0.39
NR1H3 Q13133 2/20 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
SCHEMBL11097632 0.84 GFER (0.57) GFERMYCNR4A1POLBTP53
SCHEMBL11107477 0.84 GFER (0.81) GFERNR4A1POLBTP53ALDH1A1
SCHEMBL15390875 0.83 GFER (0.47) GFERMYCNR4A1POLBTP53
SCHEMBL4938129 0.81 GFER (0.54) GFERPOLBGAAMEN1KMT2A
SCHEMBL1672019 0.80 HTT (0.65) GFERPOLBTP53ALDH1A1MAPT
SCHEMBL11183138 0.79 EGFR (0.43) GFERPOLBALDH1A1GAAMAPT
SCHEMBL6103009 0.79 GFER (0.46) GFERPOLBTP53ALDH1A1GAA
SCHEMBL6103013 0.79 GFER (0.46) GFERPOLBTP53ALDH1A1GAA
SCHEMBL15390254 0.78 GFER (0.42) GFERMYCNR4A1POLBTP53
SCHEMBL411118 0.77 GFER (0.46) GFERPOLBTP53ALDH1A1GAA

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