SCHEMBL3790072

SCHEMBL3790072

[CH2]c1ccccc1C1(CCC)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.39
SLC6A4 P31645 9/20 0.39
SLC6A2 P23975 6/20 0.39
CETP P11597 1/20 0.35
DPP4 P27487 1/20 0.34
HDAC4 P56524 1/20 0.33

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
SCHEMBL3801534 0.87 CNR1 (0.42) SLC6A3SLC6A4SLC6A2CETP
SCHEMBL3795275 0.87 CNR1 (0.42) SLC6A3SLC6A4SLC6A2CETP
SCHEMBL28227454 0.81 SLC6A3 (0.40) SLC6A3SLC6A4SLC6A2CETPDPP4
SCHEMBL15043621 0.79 SLC6A3 (0.44) SLC6A3SLC6A4SLC6A2HDAC4
SCHEMBL9751889 0.79 HDAC4 (0.50) SLC6A3SLC6A4SLC6A2CETPDPP4
SCHEMBL29255721 0.79 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2CETPDPP4
SCHEMBL28015330 0.79 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2CETPDPP4
SCHEMBL16593853 0.78 HDAC4 (0.39) SLC6A3SLC6A4SLC6A2CETPDPP4
SCHEMBL15043623 0.77 ESR1 (0.44) SLC6A3SLC6A4SLC6A2DPP4HDAC4
SCHEMBL30232639 0.77 SLC6A4 (0.42) SLC6A3SLC6A4SLC6A2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158111-A1 Compositions and Methods for Depleting Mutant p53 GEORGETOWN UNIVERSITY (US) 2013-06-20 US disclosed
WO-2010065329-A2 NANOPARTICLES FOR CANCER TREATMENT THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-06-10 WO disclosed
US-20060241178-A1 Compositions and methods for treating lung cancer IMMUNEGUARD LLC (US) 2006-10-26 US disclosed
WO-2004060365-A1 COMPOSITIONS AND METHODS FOR TREATING LUNG CANCER AMERICAN HEALTH FOUNDATION (US) 2004-07-22 WO disclosed