SCHEMBL636716

SCHEMBL636716

CN(C)c1ccc2cc(CC(=O)O)c(=O)oc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 3/20 0.64
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
KDM4E B2RXH2 4/20 0.50
SLC16A1 P53985 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
MAPT P10636 5/20 0.47
ATM Q13315 3/20 0.47
MAOB P27338 3/20 0.47
USP2 O75604 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP19A1 P11511 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL13944778 0.85 SLC16A3 (0.56) SLC16A3ALDH1A1HPGDKDM4ESLC16A1
SCHEMBL2991615 0.84 SLC16A3 (0.55) SLC16A3ALDH1A1HPGDKDM4ESLC16A1
SCHEMBL30878098 0.84 SLC16A3 (0.64) SLC16A3ALDH1A1HPGDKDM4ESLC16A1
SCHEMBL11128154 0.81 NPC1 (0.55) ALDH1A1SMN1; SMN2ALOX15KMT2AMEN1
SCHEMBL2274941 0.80 POLB (0.57) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL30002655 0.80 POLB (0.57) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL1291001 0.80 GPR55 (0.64) SLC16A3ALDH1A1HPGDKDM4ESLC16A1
SCHEMBL839032 0.78 SLC16A3 (1.00) SLC16A3ALDH1A1HPGDKDM4ESLC16A1
SCHEMBL21121524 0.78 GPR55 (0.66) SLC16A3ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL10845026 0.77 CA12 (0.50) SLC16A3KDM4EKMT2AMEN1NPC1

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-8119364-B2 Methods for generating analogs of coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-21 US disclosed
US-20100304430-A1 Methods for Generating Analogs of Coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-02 US disclosed
US-7727738-B2 Methods for generating analogs of coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-01 US disclosed
US-20070128683-A1 Metabolic delivery of coenzyme A analogs NATIONAL SCIENCE FOUNDATION 2007-06-07 US disclosed