SCHEMBL7670484

SCHEMBL7670484

CC(C)CN(CCCCC=O)CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
HIF1A Q16665 1/20 0.38
FAAH O00519 2/20 0.35
TRPV1 Q8NER1 2/20 0.35
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30

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
SCHEMBL7673174 0.93 HIF1A (0.39) TSHRHIF1AFAAHTRPV1CYP1A2
SCHEMBL7673096 0.84 CYP1A2 (0.36) TSHRHIF1ACYP1A2MAPK1CA12
SCHEMBL15015862 0.81 CYP1A2 (0.43) TSHRCYP1A2MAPK1CA12CA1
SCHEMBL10706034 0.78 ALDH1A1 (0.42) TSHRCYP1A2MAPK1CA12CA1
SCHEMBL15015968 0.75 CYP1A2 (0.43) TSHRCYP1A2MAPK1CA12CA1
SCHEMBL7678665 0.75 TSHR (0.50) TSHRHIF1AFAAHTRPV1MAPK1
SCHEMBL29956786 0.74 ALDH1A1 (0.35) TSHRCYP1A2MAPK1CA12CA1
SCHEMBL1409410 0.74
SCHEMBL2231055 0.74
SCHEMBL13509722 0.74 LMNA (0.46) TSHRCYP1A2MAPK1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US disclosed