SCHEMBL22462360

SCHEMBL22462360

CCCCCCC(CC(=O)O)C(C)C(=O)CC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
NAAA Q02083 1/20 0.43
CNR2 P34972 1/20 0.42
MMP1 P03956 4/20 0.41
MMP3 P08254 4/20 0.41
S1PR2 O95136 1/20 0.41
S1PR1 P21453 1/20 0.41
PRSS1 P07477 1/20 0.41
CTSG P08311 1/20 0.41
CTRB1 P17538 1/20 0.41
CMA1 P23946 1/20 0.41
GPR84 Q9NQS5 3/20 0.41

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
SCHEMBL4892494 0.81 NAAA (0.49) NAAACNR2PRSS1CTSGCTRB1
SCHEMBL5271812 0.81 NAAA (0.49) NAAACNR2PRSS1CTSGCTRB1
SCHEMBL5271541 0.76 NAAA (0.47) MMP2MMP9MMP12NAAACNR2
SCHEMBL3676102 0.76 NAAA (0.47) MMP2MMP9MMP12NAAACNR2
SCHEMBL7053072 0.75 MEN1 (0.48) MMP2MMP9MMP12NAAACNR2
SCHEMBL3675571 0.75 PRSS1 (0.46) NAAACNR2PRSS1CTSGCTRB1
SCHEMBL11178982 0.74 KMT2A (0.49) NAAACNR2PRSS1CTSGCTRB1
SCHEMBL14866985 0.73 PRSS1 (0.52) MMP2MMP9MMP12NAAAPRSS1
SCHEMBL14866986 0.73 PRSS1 (0.52) MMP2MMP9MMP12NAAAPRSS1
SCHEMBL15155157 0.73 PRSS1 (0.52) MMP2MMP9MMP12NAAAPRSS1

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
EP-3715411-A1 METHOD TO IMPROVE VISIBILITY OF CONTENTS, VINYL CHLORIDE-BASED RESIN COMPOSITION, STABILIZER, VINYL CHLORIDE-BASED RESIN MOLDED BODY, MEDICAL MATERIAL, AND STERILIZATION PROCESSING METHOD New Japan Chemical Co., Ltd. (JP) 2020-09-30 EP disclosed