SCHEMBL11372249

SCHEMBL11372249

CCCCCCCCCCCCCCCCCCCCCCCC([O])c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.46
HTR2A P28223 1/20 0.45
ASAH1 Q13510 2/20 0.44
CSNK1E P49674 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ACER2 Q5QJU3 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
POLB P06746 1/20 0.42
CNR2 P34972 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL1660346 1.00 NAAA (0.46) NAAAHTR2AASAH1CSNK1EALDH1A1
SCHEMBL999364 1.00 NAAA (0.46) NAAAHTR2AASAH1CSNK1EALDH1A1
SCHEMBL6957724 1.00 NAAA (0.46) NAAAHTR2AASAH1CSNK1EALDH1A1
SCHEMBL6716460 1.00 NAAA (0.46) NAAAHTR2AASAH1CSNK1EALDH1A1
SCHEMBL1020302 1.00 NAAA (0.46) NAAAHTR2AASAH1CSNK1EALDH1A1
SCHEMBL1661440 1.00 NAAA (0.46) NAAAHTR2AASAH1CSNK1EALDH1A1
SCHEMBL999809 1.00 NAAA (0.46) NAAAHTR2AASAH1CSNK1EALDH1A1
SCHEMBL997492 0.98 SIGMAR1 (0.44) NAAAHTR2AASAH1CSNK1EALDH1A1
SCHEMBL17534839 0.92 POLB (0.49) NAAAHTR2AALDH1A1SIGMAR1POLB
SCHEMBL921888 0.92 POLB (0.49) NAAAHTR2AALDH1A1SIGMAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4289634-A SALT OF OXYACID ESTER OF PHOSPHORUS AND A HYDROCARBYL POLYOXYALKYLENE AMINOALKYL CARBAMATE CHEVRON RESEARCH COMPANY (US) 1981-09-15 US disclosed
US-4153482-A LUBRICATION CHEVRON RESEARCH COMPANY (US) 1979-05-08 US disclosed
US-4113526-A PHOSPHORUS CONTAINING ACID CHEVRON RESEARCH COMPANY (US) 1978-09-12 US disclosed