SCHEMBL6447485

SCHEMBL6447485

O=C(O)COCC#Cc1cccc(C#CCO)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.43
MMP2 P08253 3/20 0.41
MMP12 P39900 3/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35

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) FFAR1MMP2MMP12PTGDR2CYP2C9
SCHEMBL6447480 0.88 FFAR1 (0.43) FFAR1MMP2MMP12PTGDR2CYP2C9
SCHEMBL6446075 0.80 FFAR1 (0.50) FFAR1MMP2MMP12PTGDR2KDM4E
SCHEMBL4683194 0.79 FFAR1 (0.57) FFAR1PTGDR2CYP2C9ALOX5LMNA
SCHEMBL5633251 0.78 ALDH1A1 (0.47) FFAR1MMP2MMP12CYP2C9KDM4E
SCHEMBL7050853 0.73 ALDH1A1 (0.41) FFAR1MMP2MMP12CYP2C9ALOX5
SCHEMBL75765 0.73 PTGDR2 (0.51) FFAR1MMP2MMP12PTGDR2CYP2C9
SCHEMBL30852830 0.70 MMP2 (0.55) FFAR1MMP2MMP12KDM4ELMNA
SCHEMBL32144372 0.70 FFAR1 (0.47) FFAR1ALDH1A1
SCHEMBL82303 0.70 FFAR1 (0.47) FFAR1ALDH1A1

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-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