SCHEMBL8536103

SCHEMBL8536103

CCCCC(c1ccccc1)C(C)(C)[S]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RIPK1 Q13546 2/20 0.39
HTR2A P28223 2/20 0.39
HRH1 P35367 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
CTSK P43235 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
MAPT P10636 1/20 0.36
PRSS1 P07477 1/20 0.35
CTSG P08311 1/20 0.35
CTRB1 P17538 1/20 0.35
CMA1 P23946 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL8536105 0.81 POLB (0.41) POLBALDH1A1KDM4ERIPK1HTR2A
Water SCHEMBL11427319 0.80 POLB (0.40) POLBALDH1A1KDM4ERIPK1HTR2A
Hydrochloric Acid SCHEMBL11127650 0.80 POLB (0.40) POLBALDH1A1KDM4ERIPK1HTR2A
SCHEMBL8322227 0.79 POLB (0.39) POLBALDH1A1KDM4ERIPK1HTR2A
SCHEMBL7760569 0.78 POLB (0.41) POLBALDH1A1KDM4EHTR2AHRH1
SCHEMBL705080 0.77 CTSK (0.40) POLBALDH1A1KDM4ERIPK1HTR2A
SCHEMBL28357908 0.77 POLB (0.41) POLBALDH1A1KDM4ERIPK1HTR2A
SCHEMBL11307941 0.76 POLB (0.40) POLBALDH1A1KDM4EHTR2AHRH1
SCHEMBL8159106 0.76 POLB (0.47) POLBALDH1A1KDM4EHTR2AHRH1
Hydrochloric Acid SCHEMBL11129021 0.75 POLB (0.39) POLBALDH1A1KDM4EHTR2AHRH1

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-0480052-B1 QUINOLINE DERIVATIVE, ANTIULCER DRUG CONTAINING THE SAME, AND PRODUCTION OF SAID DERIVATIVE OTSUKA PHARMA CO LTD (JP) 1998-01-14 EP disclosed
US-5215999-A Quinoline derivative and antiulcer agent containing said quinoline derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-06-01 US disclosed
EP-0480052-A1 QUINOLINE DERIVATIVE, ANTIULCER DRUG CONTAINING THE SAME, AND PRODUCTION OF SAID DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed