SCHEMBL11102485

SCHEMBL11102485

CC1CCN(c2ccc(Cl)cc2C(=O)O)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
LMNA P02545 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
HTT P42858 2/20 0.64
NR4A1 P22736 2/20 0.55
KDM4E B2RXH2 2/20 0.55
GAA P10253 2/20 0.55
POLB P06746 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MYC P01106 2/20 0.54
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
NOTUM Q6P988 2/20 0.49
KMT2A Q03164 1/20 0.48
USP2 O75604 1/20 0.48
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 1/20 0.45
CA1 P00915 1/20 0.44

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
SCHEMBL13176023 0.88 MAPT (0.55) MAPTLMNATDP1HTTNR4A1
SCHEMBL11099066 0.85 MAPT (0.52) MAPTLMNATDP1HTTNR4A1
SCHEMBL11125143 0.85 ALDH1A1 (0.54) MAPTLMNATDP1HTTNR4A1
SCHEMBL11101732 0.85 MYC (0.50) MAPTLMNATDP1HTTNR4A1
SCHEMBL11159072 0.84 MAPT (0.51) MAPTLMNATDP1HTTNR4A1
SCHEMBL16448842 0.84 HTT (0.65) MAPTLMNATDP1HTTNR4A1
SCHEMBL11097456 0.83 GAA (0.58) MAPTLMNATDP1HTTNR4A1
SCHEMBL11102299 0.83 ALDH1A1 (0.57) MAPTLMNAHTTNR4A1KDM4E
SCHEMBL11102523 0.82 POLB (0.56) MAPTLMNATDP1HTTNR4A1
SCHEMBL5926704 0.82 POLB (0.56) MAPTLMNATDP1HTTNR4A1

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