SCHEMBL9753335

SCHEMBL9753335

NOC(=O)[C@@H](CCCSc1ccc2ccccc2c1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.42
PPARA Q07869 3/20 0.42
CNR2 P34972 2/20 0.41
PPARD Q03181 2/20 0.40
FOLH1 Q04609 1/20 0.39
CAPN1 P07384 1/20 0.39
CTSB P07858 1/20 0.39
SRR Q9GZT4 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MCL1 Q07820 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
SCHEMBL9753338 1.00 PPARG (0.42) PPARGPPARACNR2PPARDFOLH1
SCHEMBL9752899 0.72 CNR2 (0.42) CNR2CAPN1CTSBHDAC3HDAC4
SCHEMBL3132211 0.70 ALDH1A1 (0.69) PPARGCNR2HDAC3HDAC4HDAC1
SCHEMBL23169435 0.69 BACE1 (0.53) CNR2MCL1BCL2A1BCL2BCL2L1
SCHEMBL7515480 0.69 SRR (0.56) FOLH1SRR
SCHEMBL7371689 0.67 ALDH1A1 (0.60) CNR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5950448 0.67 BACE1 (0.52) PPARGPPARACNR2CAPN1CTSB
SCHEMBL5950452 0.67 BACE1 (0.52) PPARGPPARACNR2CAPN1CTSB
SCHEMBL5950881 0.67 BACE1 (0.52) PPARGPPARACNR2CAPN1CTSB
SCHEMBL30418055 0.67 MAOA (0.59) CNR2HDAC1MCL1BCL2A1ANPEP

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-1991008737-A2 PHARMACOLOGICALLY ACTIVE AMIDE CARBOXYLATE DERIVATIVES FISONS PLC (GB) 1991-06-27 WO disclosed