SCHEMBL9752931

SCHEMBL9752931

CCCCCCCC(=O)N[C@@H](CC(=O)NO)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
FAAH O00519 2/20 0.55
MMP2 P08253 6/20 0.55
MMP3 P08254 6/20 0.55
MMP1 P03956 5/20 0.55
MMP7 P09237 5/20 0.55

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
SCHEMBL9753165 0.90 ITGB3 (0.61) FAAH
SCHEMBL9752873 0.90 ITGB3 (0.61) FAAH
SCHEMBL9753163 0.90 ITGB3 (0.61) FAAH
SCHEMBL9752875 0.90 ITGB3 (0.61) FAAH
SCHEMBL7765658 0.85 CERT1 (0.67) FAAH
SCHEMBL8383184 0.85 CERT1 (0.67) FAAH
SCHEMBL7765661 0.85 CERT1 (0.67) FAAH
SCHEMBL8342096 0.85 CERT1 (0.67) FAAH
Phosphonic Acid SCHEMBL9220827 0.82 HPGD (0.58) FAAH
SCHEMBL10964933 0.81 CYP1A2 (0.61) FAAH

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