SCHEMBL8398317

SCHEMBL8398317

Oc1ccccc1CCCCCCCCCCc1ccccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.66
TAAR1 Q96RJ0 1/20 0.62
MPO P05164 6/20 0.61
SLC6A4 P31645 2/20 0.61
HSPA5 P11021 1/20 0.59
CA12 O43570 4/20 0.54
CA2 P00918 4/20 0.54
CA9 Q16790 4/20 0.54
TSHR P16473 2/20 0.52
CYP2D6 P10635 1/20 0.52
HIF1A Q16665 1/20 0.52
BID P55957 1/20 0.52
BCL2L1 Q07817 1/20 0.52
MCL1 Q07820 1/20 0.52
BAK1 Q16611 1/20 0.52
HTR1A P08908 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
AKR1B1 P15121 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL8402231 1.00 MGLL (0.66) MGLLTAAR1MPOSLC6A4HSPA5
SCHEMBL8400524 1.00 MGLL (0.66) MGLLTAAR1MPOSLC6A4HSPA5
SCHEMBL28176757 1.00 MGLL (0.66) MGLLTAAR1MPOSLC6A4HSPA5
SCHEMBL8401990 1.00 MGLL (0.66) MGLLTAAR1MPOSLC6A4HSPA5
SCHEMBL8401980 1.00 MGLL (0.66) MGLLTAAR1MPOSLC6A4HSPA5
SCHEMBL3800530 0.97 TAAR1 (0.65) MGLLTAAR1MPOSLC6A4HSPA5
SCHEMBL4967651 0.92 TAAR1 (0.65) MGLLTAAR1MPOSLC6A4HSPA5
SCHEMBL8055362 0.91 MGLL (0.58) MGLLTAAR1MPOSLC6A4HSPA5
SCHEMBL8618791 0.91 MGLL (0.58) MGLLTAAR1MPOSLC6A4HSPA5
SCHEMBL10522207 0.91 MGLL (0.58) MGLLTAAR1MPOSLC6A4HSPA5

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
CN-107075211-A Novel antiagglomerating agents for the production of polyisobutenes 巴斯夫东南亚有限公司 2017-08-18 CN disclosed
US-5859067-A PREPARING BIS(2-HYDROXY-1-NAPHTHYL)DECANE FROM THE CORRESPONDING DIACID; FORMING ACID DICHLORIDE; TREATING WITH 2-NAPHTHOL; REARRANGEMENT; REDUCTION; INHIBITS ACTION OF ADENOSINE TRIPHOSPHATASE ROUFOGALIS BASIL DON (AU) 1999-01-12 US disclosed
US-5741821-A PHENOLIC ENZYME INHIBITORS THE UNIVERSITY OF SYDNEY (AU) 1998-04-21 US disclosed
EP-0703780-A4 USE OF NATURAL PRODUCTS AND RELATED SYNTHETIC COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE UNIV SYDNEY (AU) 1998-01-07 EP disclosed
EP-0703780-A1 USE OF NATURAL PRODUCTS AND RELATED SYNTHETIC COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE THE UNIVERSITY OF SYDNEY (AU) 1996-04-03 EP disclosed
WO-1994028886-A1 USE OF NATURAL PRODUCTS AND RELATED SYNTHETIC COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE THE UNIVERSITY OF SYDNEY (AU) 1994-12-22 WO disclosed