SCHEMBL9259633

SCHEMBL9259633

Cc1ccccc1SC1CC(=O)N1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 8/20 0.44
BRD4 O60885 7/20 0.39
EP300 Q09472 1/20 0.39
HTR1A P08908 2/20 0.37
HTR3A P46098 2/20 0.37
ALDH1A1 P00352 1/20 0.37
DDB1 Q16531 3/20 0.35
CRBN Q96SW2 3/20 0.35
HAO1 Q9UJM8 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL17276227 0.79 LDHA (0.38) CREBBPBRD4EP300ALDH1A1DDB1
SCHEMBL8439622 0.78 DDB1 (0.56) CREBBPBRD4HTR1AHTR3AALDH1A1
SCHEMBL17276266 0.76 MTNR1A (0.43) CREBBPBRD4ALDH1A1
SCHEMBL17276404 0.75 DDB1 (0.56) ALDH1A1DDB1CRBN
SCHEMBL8522217 0.73 CRBN (0.47) CREBBPBRD4EP300ALDH1A1DDB1
SCHEMBL11036165 0.73 CRBN (0.47) CREBBPBRD4EP300ALDH1A1DDB1
SCHEMBL8439360 0.73 CRBN (0.47) CREBBPBRD4EP300ALDH1A1DDB1
SCHEMBL9257239 0.70 CRBN (0.51) CREBBPBRD4ALDH1A1DDB1CRBN
SCHEMBL9261121 0.69 DDB1 (0.55) CREBBPBRD4HTR1AHTR3AALDH1A1
SCHEMBL2419909 0.69 MEN1 (0.46) HTR1AHTR3AALDH1A1HAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995002579-A1 SUBSTITUTED AZETIDINONE AMIDE DERIVATIVES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS ZENECA LIMITED (GB) 1995-01-26 WO disclosed