SCHEMBL9155484

SCHEMBL9155484

CCCCC(CCCC)C(O)C(=O)c1ccccc1.CCCCCCCC(CCCC)C(O)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP12 P39900 1/20 0.48
CES2 O00748 3/20 0.47
CES1 P23141 3/20 0.47
PRSS1 P07477 3/20 0.47
CTSG P08311 3/20 0.47
CTRB1 P17538 3/20 0.47
CMA1 P23946 3/20 0.47
CSNK1E P49674 1/20 0.47
NAAA Q02083 3/20 0.46
GPR84 Q9NQS5 3/20 0.43
FFAR1 O14842 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL8531764 1.00 MMP2 (0.48) MMP2MMP9MMP12CES2CES1
SCHEMBL6582853 1.00 MMP2 (0.48) MMP2MMP9MMP12CES2CES1
SCHEMBL207880 0.95 CES2 (0.46) MMP2MMP9MMP12CES2CES1
SCHEMBL6582699 0.92 SLC6A2 (0.47) MMP2MMP9MMP12CES2CES1
SCHEMBL11597057 0.91 CES2 (0.45) MMP2MMP9MMP12CES2CES1
SCHEMBL8527293 0.89 PGR (0.46) MMP2MMP9MMP12CES2CES1
SCHEMBL5711592 0.83 MMP2 (0.47) MMP2MMP9MMP12CES2CES1
SCHEMBL7248385 0.82 PGR (0.41) MMP2MMP9MMP12CES2CES1
SCHEMBL2563963 0.82 GPR84 (0.56) MMP2MMP9MMP12CES2CES1
SCHEMBL7633629 0.82 GPR84 (0.56) MMP2MMP9MMP12CES2CES1

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
EP-0631572-A1 OXIMATION PROCESS HENKEL CORPORATION (US) 1995-01-04 EP claimed
WO-1993019041-A1 OXIMATION PROCESS HENKEL CORPORATION (US) 1993-09-30 WO claimed