SCHEMBL1070099

SCHEMBL1070099

OCCCc1ccccc1Oc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.62
RIPK1 Q13546 1/20 0.56
SLC6A4 P31645 4/20 0.51
SLC6A2 P23975 2/20 0.51
FFAR1 O14842 1/20 0.46
CYP19A1 P11511 1/20 0.43
TTR P02766 1/20 0.42
P2RX3 P56373 1/20 0.42
PPARA Q07869 1/20 0.41
LTA4H P09960 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
EPHX2 P34913 1/20 0.41
HTR2A P28223 2/20 0.41
CTNNB1 P35222 1/20 0.41
SLC6A3 Q01959 1/20 0.40
RHEB Q15382 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
SCHEMBL8516631 0.93 HRH1 (0.59) HRH1RIPK1SLC6A4SLC6A2FFAR1
SCHEMBL1067253 0.89 HRH1 (0.67) HRH1RIPK1SLC6A4SLC6A2FFAR1
SCHEMBL17024100 0.88 HRH1 (0.46) HRH1RIPK1SLC6A4SLC6A2LTA4H
SCHEMBL6503487 0.81 HRH1 (0.62) HRH1RIPK1SLC6A4SLC6A2FFAR1
SCHEMBL5389689 0.81 HRH1 (0.62) HRH1RIPK1SLC6A4SLC6A2FFAR1
SCHEMBL2676995 0.81 HRH1 (0.79) HRH1RIPK1SLC6A4SLC6A2FFAR1
SCHEMBL6186762 0.81 HRH1 (0.62) HRH1RIPK1SLC6A4SLC6A2LTA4H
SCHEMBL7646958 0.81 HRH1 (0.62) HRH1RIPK1SLC6A4SLC6A2FFAR1
SCHEMBL29580562 0.81 HRH1 (0.62) HRH1RIPK1SLC6A4SLC6A2LTA4H
SCHEMBL194417 0.80 HRH1 (0.60) HRH1RIPK1SLC6A4SLC6A2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115838341-A Organic compounds having soluble groups 默克专利有限公司 2023-03-24 CN disclosed
EP-3145935-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS DAG-LIPASE INHIBITORS Universiteit Leiden (NL) 2017-03-29 EP disclosed
WO-2016188972-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS DAG-LIPASE INHIBITORS UNIVERSITEIT LEIDEN (NL) 2016-12-01 WO disclosed
WO-2016188972-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS DAG-LIPASE INHIBITORS UNIVERSITEIT LEIDEN (NL) 2016-12-01 WO disclosed
EP-3095787-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS DAG-LIPASE INHIBITORS Universiteit Leiden (NL) 2016-11-23 EP disclosed
EP-3095787-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS DAG-LIPASE INHIBITORS Universiteit Leiden (NL) 2016-11-23 EP disclosed
WO-2011003029-A2 CATALYTIC DISPROPORTIONATION AND CATALYTIC REDUCTION OF CARBON-CARBON AND CARBON-OXYGEN BONDS OF LIGNIN AND OTHER ORGANIC SUBSTRATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-06 WO disclosed