SCHEMBL7345198

SCHEMBL7345198

CCC(C)[C@H](NC(=O)N1CCCCCC1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.49
FPR2 P25090 2/20 0.40
ATM Q13315 1/20 0.40
XIAP P98170 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
DPP4 P27487 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALOX15 P16050 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL7345195 1.00 KMT2A (0.57) KMT2AMEN1ALDH1A1L3MBTL1FPR2
SCHEMBL8346050 1.00 KMT2A (0.57) KMT2AMEN1ALDH1A1L3MBTL1FPR2
SCHEMBL6801923 0.84 PKM (0.57) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7339055 0.83 SMN1; SMN2 (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2PKM
SCHEMBL7339063 0.83 SMN1; SMN2 (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2PKM
SCHEMBL7340842 0.77 MEN1 (0.56) KMT2AMEN1SMN1; SMN2DPP4LMNA
SCHEMBL7340839 0.77 MEN1 (0.56) KMT2AMEN1SMN1; SMN2DPP4LMNA
SCHEMBL8635958 0.76 SMN1; SMN2 (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2PKM
SCHEMBL7336005 0.75 POLB (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2PKM
SCHEMBL7336014 0.75 POLB (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2PKM

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
US-6458781-B1 BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2002-10-01 US disclosed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed