SCHEMBL27647851

SCHEMBL27647851

CCN(C(=O)O)c1ccc(Br)cc1.CCOC(CCC(=O)O)NC

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.34
▸ KYAT1 Q16773 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31

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
SCHEMBL27627640 0.85 MLYCD (0.39) TSHR
SCHEMBL250872 0.76 ALDH1A1 (0.52) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL250128 0.68 ALOX5 (0.42) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL16606247 0.65 ALDH1A1 (0.42) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL5218475 0.65 TP53 (0.43) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL8342856 0.64 ALDH1A1 (0.47) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL11037938 0.64 ALDH1A1 (0.52) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL915703 0.64 ALDH1A1 (0.52) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL27544700 0.63 ALDH1A1 (0.46) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL5702149 0.62 ALDH1A1 (0.53) ALDH1A1GLATSHRMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101058564-A Production of arylalkyl carbamate derivatives and their use in therapy SANOFI AVENTIS (FR) 2007-10-24 — — CN disclosed
CN-1741990-A Production of arylalkyl carbamate derivatives and their use in therapy SANOFI AVENTIS (FR) 2006-03-01 — — CN disclosed
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