SCHEMBL7654837

SCHEMBL7654837

CC(CCC=CCCC(=O)O)CC(=O)NCC(C(=O)OC1CCCC1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
ANPEP P15144 2/20 0.40
LTA4H P09960 1/20 0.40
LAP3 P28838 1/20 0.40
NPEPPS P55786 1/20 0.40
ERAP2 Q6P179 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
CHRM2 P08172 5/20 0.38
CHRM5 P08912 4/20 0.38
CHRM1 P11229 4/20 0.38
CHRM3 P20309 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CHRM4 P08173 3/20 0.38
HTR2C P28335 2/20 0.38
BLM P54132 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6801572 0.88 MMP2 (0.37) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6801557 0.82 L3MBTL1 (0.35) LTA4HMEN1KMT2AKDM4ELMNA
SCHEMBL6804678 0.72 L3MBTL1 (0.39) LTA4HSMN1; SMN2CYP2C19
SCHEMBL6803688 0.72 HPGD (0.38) MEN1KMT2ALMNAHPGD
SCHEMBL6803235 0.67 HDAC3 (0.37) KDM4EBCHEHPGD
SCHEMBL4297790 0.65 CYP19A1 (0.70) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL16517900 0.65 CYP19A1 (0.70) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6804827 0.65 HPGD (0.43) CHRM1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL10901068 0.64 CYP19A1 (0.73) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL27497020 0.64 L3MBTL1 (0.39) MEN1KMT2AKDM4ELMNAPOLB

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
US-6462023-B1 SUCH AS 2-HYDROXY-HYDROXYCARBAMOYL-METHYL)-4-METHYL-PENTANOYLAMINE)-2-PHENYL -ETHANOIC ACID CYCLOPENTYL ESTER; INHIBITING HYPERPROLIFERATIVE TUMOURGENIC CELLS SUCH AS MELANOMA AND/OR LYMPHOMA CELLS BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2002-10-08 US disclosed
EP-0925278-A1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-06-30 EP disclosed
WO-1998011063-A1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-03-19 WO disclosed