SCHEMBL6447480

SCHEMBL6447480

[O]CC#Cc1cccc(C#CCOCC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.39
MMP2 P08253 2/20 0.39
MMP12 P39900 2/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX5 P09917 1/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL6447328 0.94 FFAR1 (0.48) FFAR1PTGDR2MMP2MMP12CYP2C9
SCHEMBL6447485 0.88 FFAR1 (0.43) FFAR1PTGDR2MMP2MMP12CYP2C9
SCHEMBL6446075 0.80 FFAR1 (0.50) FFAR1PTGDR2MMP2MMP12ALOX15
SCHEMBL75765 0.73 PTGDR2 (0.51) FFAR1PTGDR2MMP2MMP12CYP2C9
SCHEMBL30852830 0.70 MMP2 (0.55) FFAR1MMP2MMP12ALOX15KDM4E
SCHEMBL3634841 0.69 HTT (0.58) FFAR1MMP2MMP12CYP2C9KDM4E
SCHEMBL14514021 0.69 FFAR1 (0.53) FFAR1
SCHEMBL1778144 0.69 FFAR1 (0.71) FFAR1PTGDR2ALOX15ALDH1A1
SCHEMBL96139 0.68 CYP1A2 (0.58) FFAR1CYP2C9KDM4EALDH1A1CYP1A2
SCHEMBL4683194 0.67 FFAR1 (0.57) FFAR1PTGDR2CYP2C9ALOX5ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554272-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2005-07-20 EP claimed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 WO claimed
US-6960588-B1 Tryptase inhibitors ALTANA PHARMA AG (DE) 2005-11-01 US disclosed
EP-1216236-A1 TRYPTASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2002-06-26 EP disclosed
WO-2001019809-A1 TRYPTASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-03-22 WO disclosed