SCHEMBL7338783

SCHEMBL7338783

O=C1CCCCCCC1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.56
PTGS1 P23219 3/20 0.56
OPRK1 P41145 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD11B1 P28845 1/20 0.53
KDM4E B2RXH2 1/20 0.53
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA4 P22748 3/20 0.47
CA6 P23280 3/20 0.47
MCL1 Q07820 1/20 0.45
MT-CO2 P00403 1/20 0.44
ALOX5 P09917 1/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 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
SCHEMBL225031 1.00 PTGS2 (0.56) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL4595 0.98 PTGS2 (0.57) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL29169546 0.98 PTGS2 (0.57) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9790769 0.98 PTGS2 (0.57) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL23056654 0.93 PTGS2 (0.59) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL29169544 0.93 PTGS2 (0.59) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL793526 0.93 PTGS2 (0.59) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9145459 0.90 PTGS2 (0.54) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9144882 0.86 PTGS2 (0.57) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL29016897 0.85 DDB1 (0.61) PTGS2PTGS1OPRK1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6352703-B1 APPLYING POISON AND FEEDING STIMULANT COMPRISING NAPHTHALENE, 2,6-DI-TERT-BUTYL-4-METHYLPHENOL, ERGOSTEROL, DIOCTYL ADIPATE, AND/OR DIOCTYL PHTHALATE; INCREASED CONSUMPTION BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2002-03-05 US disclosed
WO-1999029172-A1 COMPOSITIONS AND METHODS FOR DETECTING AND KILLING TERMITES BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITYAND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1999-06-17 WO disclosed
US-4511569-A Tricyclic lactams and derivatives useful in increasing cardiac contractility SCHERING CORPORATION (US) 1985-04-16 US disclosed
EP-0102046-A1 Tricyclic lactams, method for making them, pharmaceutical compositions containing them SCHERING CORPORATION (US) 1984-03-07 EP disclosed
US-3937710-A BENZYL-SUBSTITUTED CYCLOOCTANONES R. J. REYNOLDS TOBACCO COMPANY (US) 1976-02-10 US disclosed