SCHEMBL4970029

SCHEMBL4970029

COc1ccc(C(N[C@@H](CS)C(=O)O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.49
FPR2 P25090 1/20 0.44
ACE P12821 2/20 0.44
KMT2A Q03164 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LDHA P00338 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
APEX1 P27695 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL28326846 0.90 KIF11 (0.50) KIF11FPR2ACEKMT2APPARG
SCHEMBL232515 0.87 NPSR1 (0.44) ALOX15RECQL
SCHEMBL8682774 0.87 NPSR1 (0.44) ALOX15RECQL
SCHEMBL232516 0.87 NPSR1 (0.44) ALOX15RECQL
SCHEMBL29964852 0.86 KIF11 (0.49) KIF11FPR2KMT2APPARGPPARA
SCHEMBL29964734 0.84 KIF11 (0.50) KIF11FPR2
SCHEMBL623398 0.82 ALDH1A1 (0.39) KIF11FPR2KMT2ANPC1ALDH1A1
SCHEMBL1487611 0.82 ALDH1A1 (0.39) KIF11FPR2KMT2ANPC1ALDH1A1
SCHEMBL10795600 0.81 MDM4 (0.43) KIF11KMT2AALDH1A1LMNAHSD17B10
SCHEMBL7603846 0.81 KIF11 (0.50) KIF11FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087992-B1 ANTITHROMBOTIC COMPOUNDS ORGANON NV (NL) 2008-08-20 EP disclosed
EP-1087992-A1 ANTITHROMBOTIC COMPOUNDS Akzo Nobel N.V. (NL) 2001-04-04 EP disclosed
WO-1999065934-A1 ANTITHROMBOTIC COMPOUNDS AKZO NOBEL N.V. (NL) 1999-12-23 WO disclosed