SCHEMBL5130701

SCHEMBL5130701

C1=CCN2CCCCCC2=C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.32
INMT O95050 1/20 0.32
HPGD P15428 1/20 0.32
ACHE P22303 3/20 0.32
KEAP1 Q14145 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL1405516 0.98 ACHE (0.30) ACHE
Hydrochloric Acid SCHEMBL3904361 0.96
SCHEMBL19004321 0.82
SCHEMBL17934702 0.77
SCHEMBL31696522 0.72 ALDH1A1 (0.33)
SCHEMBL31280721 0.69 PARP1 (0.54)
SCHEMBL3413900 0.68
SCHEMBL23486255 0.67 ALDH1A1 (0.35) USP2INMTHPGDACHEKEAP1
SCHEMBL14818806 0.67 ALDH1A1 (0.35) USP2INMTHPGDACHEKEAP1
SCHEMBL6699994 0.67 ALDH1A1 (0.35) USP2INMTHPGDACHEKEAP1

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
WO-2012154906-A1 TOTAL SYNTHESIS OF ARTEMISININ INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2012-11-15 WO disclosed
EP-1888575-A2 COMPOUNDS FOR MODULATING TRPV3 FUNCTION Hydra Biosciences, Inc. (US) 2008-02-20 EP disclosed
WO-2006122156-A2 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2006-11-16 WO disclosed