SCHEMBL174380

SCHEMBL174380

COC(=O)C1CCC(c2ncc(-c3ccc(Nc4ccccc4Cl)cc3)o2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.52
LMNA P02545 8/20 0.52
MAPT P10636 5/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 3/20 0.47
CYP2C9 P11712 1/20 0.46
HDAC4 P56524 1/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 3/20 0.45
NOD2 Q9HC29 1/20 0.45
NR2F2 P24468 1/20 0.44
PAX8 Q06710 1/20 0.42

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
SCHEMBL162572 0.90 LMNA (0.49) TP53LMNAMAPTPOLBKMT2A
SCHEMBL173260 0.89 TP53 (0.52) TP53LMNAMAPTPOLBKMT2A
SCHEMBL163130 0.85 SMO (0.58) TP53LMNAMAPTPOLBKMT2A
SCHEMBL406879 0.84 CYP2C9 (0.56) TP53LMNAMAPTPOLBKMT2A
SCHEMBL408805 0.84 CYP2C9 (0.56) TP53LMNAMAPTPOLBKMT2A
SCHEMBL163647 0.83 KMT2A (0.54) TP53LMNAMAPTKMT2ACYP2C9
SCHEMBL161688 0.81 DGAT1 (0.51) TP53LMNAMAPTKMT2ANPC1
SCHEMBL174036 0.80 CA12 (0.52) TP53LMNAMAPTPOLBKMT2A
SCHEMBL161847 0.79 NPC1 (0.49) TP53LMNAMAPTPOLBKMT2A
SCHEMBL161754 0.78 DGAT1 (0.57) TP53LMNAMAPTPOLBKMT2A

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
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO disclosed