SCHEMBL7422144

SCHEMBL7422144

NCc1ccc(C(=O)OC(=O)C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.56
HDAC3 O15379 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
F10 P00742 1/20 0.40
HTR2C P28335 1/20 0.40
TPSAB1 Q15661 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ABAT P80404 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
ST14 Q9Y5Y6 2/20 0.35
MAOB P27338 2/20 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
SCHEMBL28093052 0.85 CES1 (0.38) F2PRSS1LMNAPOLB
SCHEMBL28508417 0.78 LOXL2 (0.62) LOXL2
SCHEMBL8370038 0.78 TSHR (0.48) HDAC6ALDH1A1
SCHEMBL23201209 0.77 LOXL2 (0.43) LOXL2HDAC3HDAC6NCOR2F2
Trifluoroacetic Acid SCHEMBL28281967 0.77 LOXL2 (0.77) LOXL2HDAC3HDAC6NCOR2MEN1
SCHEMBL2455339 0.77 NPC1 (0.49) ALDH1A1
SCHEMBL5781148 0.77 LOXL2 (0.61) LOXL2HDAC3HDAC6NCOR2F2
SCHEMBL2081869 0.76 MAPT (0.38) LOXL2KMT2APOLBMAOB
SCHEMBL22657796 0.76 PRSS1 (0.54) LOXL2F2PRSS1PRSS2PRSS3
SCHEMBL7052967 0.76 CES1 (0.54) LOXL2HDAC3HDAC6NCOR2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073624-A1 AMINOMETHYL-BENZOIC ESTER DERIVATIVES AS TRYPTASE INHIBITORS Proteus Molecular Design Limited (GB) 2001-02-07 EP disclosed
WO-1999055661-A1 AMINOMETHYL-BENZOIC ESTER DERIVATIVES AS TRYPTASE INHIBITORS PROTEUS MOLECULAR DESIGN LIMITED (GB) 1999-11-04 WO disclosed