SCHEMBL1475178

SCHEMBL1475178

CCNc1c(C/C=C(\C)CCC(=O)OCCC(C)C)c(OC)c(C)c2c1C(=O)OC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 18/20 0.61
IMPDH1 P20839 18/20 0.61
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
UGT2B7 P16662 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ABCC4 O15439 1/20 0.57
NR1I2 O75469 1/20 0.57
ABCB11 O95342 1/20 0.57
SLC6A4 P31645 1/20 0.57
KCNH2 Q12809 1/20 0.57
PDE3A Q14432 1/20 0.57
HDAC3 O15379 3/20 0.56
HDAC4 P56524 3/20 0.56
HDAC1 Q13547 3/20 0.56

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
SCHEMBL1473148 0.92 IMPDH2 (0.63) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1473912 0.91 IMPDH2 (0.62) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1153159 0.91 IMPDH2 (0.68) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1473092 0.91 IMPDH2 (0.58) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1475473 0.90 IMPDH2 (0.61) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1473975 0.90 IMPDH2 (0.59) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1475656 0.89 IMPDH2 (0.59) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1473836 0.88 IMPDH2 (0.65) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1473334 0.88 IMPDH2 (0.59) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1473337 0.88 IMPDH2 (0.59) 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