SCHEMBL8877348

SCHEMBL8877348

CC(C)c1c(C(=O)O)c(O)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 4/20 0.50
▸ DHODH Q02127 7/20 0.49
▸ TSHR P16473 1/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP2C19 P33261 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ LDHA P00338 3/20 0.42
▸ LDHB P07195 2/20 0.42
▸ ALB P02768 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL10467326 0.80 DHODH (0.59) PDE10ADHODHTSHRKMT2AMEN1
SCHEMBL26617556 0.79 PDE10A (0.62) PDE10ADHODHTSHRKMT2AMEN1
SCHEMBL13451644 0.79 PDE10A (0.41) PDE10ADHODHTSHRKMT2AMEN1
SCHEMBL8878762 0.78 ERN1 (0.53) PDE10ADHODHKMT2AMEN1LMNA
SCHEMBL8879814 0.77 GCGR (0.41) TSHRKMT2ALMNAKDM4EALDH1A1
SCHEMBL14106730 0.76 PDE10A (0.72) PDE10ADHODHTSHRKMT2AMEN1
SCHEMBL1102408 0.76 KDM4E (0.50) TSHRKMT2ALMNAKDM4EALDH1A1
SCHEMBL14506258 0.75 ATM (0.38) PDE10ADHODHTSHRKMT2AMEN1
SCHEMBL14533531 0.75 GCGR (0.43) TSHRKMT2AMEN1KDM4EALDH1A1
SCHEMBL2534987 0.75 PDE10A (0.49) PDE10ADHODHTSHRKMT2AMEN1

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-5691322-A Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1997-11-25 — — US disclosed
US-5686433-A CHOLESTEROL BIOSYNTHESIS INHIBITION E.R. SQUIBB & SONS, INC. (US) 1997-11-11 — — US disclosed
US-5506219-A ANTICHOLESTEROL AND ANTILIPEMIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-04-09 — — US disclosed
EP-0444533-A2 Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1991-09-04 — — EP disclosed
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