SCHEMBL1473766

SCHEMBL1473766

COc1c(C)c2c(c(NC(=O)Nc3ccccc3Cl)c1CC=C(C)CCC(=O)OCCC(C)C)C(=O)OC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 17/20 0.53
IMPDH1 P20839 12/20 0.53
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
ABCC4 O15439 1/20 0.50
NR1I2 O75469 1/20 0.50
ABCB11 O95342 1/20 0.50
SLC6A4 P31645 1/20 0.50
KCNH2 Q12809 1/20 0.50
PDE3A Q14432 1/20 0.50
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48

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
SCHEMBL1473765 1.00 IMPDH2 (0.53) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1472965 0.91 IMPDH2 (0.57) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1472966 0.91 IMPDH2 (0.57) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1475377 0.91 IMPDH2 (0.64) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1475375 0.91 IMPDH2 (0.64) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1473274 0.90 IMPDH2 (0.55) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1473276 0.90 IMPDH2 (0.55) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1473457 0.90 IMPDH2 (0.55) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1473985 0.89 IMPDH2 (0.56) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1473986 0.89 IMPDH2 (0.56) IMPDH2IMPDH1ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915255-B2 Metabolism-modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2011-03-29 US disclosed