SCHEMBL8084677

SCHEMBL8084677

COC(CCCCCc1ccccc1)(CC(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL8085465 0.94 LMNA (0.47) MAPTRXFP1KDM4EMEN1LMNA
SCHEMBL8084640 0.83 POLB (0.42) KDM4EMEN1LMNACYP1A2CYP2D6
SCHEMBL8077433 0.80 CES1 (0.43) MAPTRXFP1HDAC1HDAC2CES1
SCHEMBL28057311 0.79 HIF1A (0.46) KDM4EMEN1LMNACYP1A2CYP2D6
SCHEMBL1843713 0.78 FFAR1 (0.50) MAPTRXFP1KDM4EMEN1LMNA
SCHEMBL9620362 0.78 MAPT (0.49) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL9716385 0.78 MAPT (0.49) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL9620173 0.78 MAPT (0.49) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL10627086 0.77 FFAR1 (0.63) MAPTRXFP1KDM4EMEN1LMNA
SCHEMBL2468613 0.77 TDP1 (0.42) MEN1KMT2AHDAC11PDE4A

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
EP-0835240-B1 MATRIX METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2000-11-02 EP disclosed
US-5917090-A INHIBIT TUMOR NECROSIS FACTOR; ANTIARTHRITIC AGENTS BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 1999-06-29 US disclosed
EP-0835240-A1 MATRIX METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-04-15 EP disclosed
WO-1997002239-A1 MATRIX METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-01-23 WO disclosed