SCHEMBL10780919

SCHEMBL10780919

CCCCC(CS)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.44
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
HTR2A P28223 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
ASAH1 Q13510 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL9000355 0.94 SIGMAR1 (0.42) MMEALDH1A1SIGMAR1OPRM1OPRD1
SCHEMBL11464125 0.92 NR1I2 (0.44) MMEALDH1A1SIGMAR1OPRM1OPRD1
SCHEMBL6682502 0.87 POLB (0.47) POLBALDH1A1KDM4ESIGMAR1OPRM1
SCHEMBL598619 0.83 NR1I2 (0.49) POLBALDH1A1KDM4ESIGMAR1OPRM1
SCHEMBL6682155 0.83 SIGMAR1 (0.46) POLBALDH1A1KDM4ESIGMAR1OPRM1
SCHEMBL2052039 0.83 POLB (0.45) POLBALDH1A1KDM4ESIGMAR1OPRM1
SCHEMBL28343866 0.83 NR1I2 (0.49) POLBALDH1A1KDM4ESIGMAR1OPRM1
SCHEMBL6679763 0.82 NR1I2 (0.47) POLBALDH1A1KDM4ESIGMAR1OPRM1
SCHEMBL6683946 0.82 NR1I2 (0.47) POLBALDH1A1KDM4ESIGMAR1OPRM1
SCHEMBL10863122 0.82 NR1I2 (0.47) POLBALDH1A1KDM4ESIGMAR1OPRM1

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
EP-0169254-B1 PROCESS FOR PURIFICATION OF 1,2-UNSATURATED CARBOXYLIC ACIDS AND/OR ESTERS THEREOF MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1987-11-11 EP disclosed
US-4625059-A TREATMENT WITH MERCAPTAN 501 Mitsubishi Petrochemical Company, Ltd. (JP) 1986-11-25 US disclosed
EP-0169254-A1 Process for purification of 1,2-unsaturated carboxylic acids and/or esters thereof MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1986-01-29 EP disclosed