SCHEMBL9815248

SCHEMBL9815248

CCCCCCCCCCCCCC(c1ccccc1)C(C(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.43
MMP2 P08253 4/20 0.42
MMP9 P14780 2/20 0.42
MMP3 P08254 2/20 0.42
MMP1 P03956 1/20 0.42
MMP14 P50281 1/20 0.42
ASAH1 Q13510 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ACER2 Q5QJU3 1/20 0.41
POLB P06746 1/20 0.40
CNR2 P34972 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40

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
SCHEMBL27604017 1.00 NAAA (0.43) NAAAMMP2MMP9MMP3MMP1
SCHEMBL10430558 0.87 NAAA (0.41) NAAAMMP2MMP9MMP3MMP1
SCHEMBL10430737 0.87 NAAA (0.41) NAAAMMP2MMP9MMP3MMP1
SCHEMBL10424312 0.84 MMP2 (0.44) NAAAMMP2MMP9MMP3MMP1
SCHEMBL10521419 0.84 MEN1 (0.43) NAAAMMP2MMP9MMP3MMP1
SCHEMBL11412628 0.82 NAAA (0.37) NAAAMMP2MMP9MMP3MMP1
SCHEMBL10521428 0.82 GPR84 (0.43) NAAAASAH1ALDH1A1CNR2PRSS1
SCHEMBL10430536 0.81 SOAT2 (0.43) CNR2
SCHEMBL2987917 0.81 LMNA (0.42) MEN1KMT2AALDH1A1POLBCNR2
Ammonia Solution, Strong SCHEMBL27662920 0.81 PRSS1 (0.46) NAAAMMP2MMP9MMP3MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0286336-B1 CORROSION INHIBITORS EXXON CHEMICAL PATENTS INC. (US) 1991-10-09 EP disclosed
EP-0286336-A1 Corrosion inhibitors EXXON CHEMICAL PATENTS INC. (US) 1988-10-12 EP disclosed
US-4737160-A DETERGENTS PHILLIPS PETROLEUM COMPANY (US) 1988-04-12 US disclosed
EP-0180910-A2 Reaction products of amido-amine and epoxide useful as fuel additives PHILLIPS PETROLEUM COMPANY (US) 1986-05-14 EP disclosed
US-4504280-A Fuel additives from SO2 treated mixtures of amides and esters derived from vegetable oil, tall oil acid, or aralkyl acid PHILLIPS PETROLEUM COMPANY (US) 1985-03-12 US disclosed
EP-0016972-A1 Compound useful as detergent additive, compositions comprising a lubricating oil or hydrocarbon fuel, and method for maintaining the cleanliness of an internal combustion engine PHILLIPS PETROLEUM COMPANY (US) 1980-10-15 EP disclosed