SCHEMBL7330109

SCHEMBL7330109

CCCCCC#Cc1ccc2cc(C(=O)OC)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.50
MMP12 P39900 1/20 0.50
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
MGLL Q99685 2/20 0.44
PTPN11 Q06124 3/20 0.43
PTPN2 P17706 3/20 0.42
PTPN1 P18031 3/20 0.42
PTPN6 P29350 2/20 0.42

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
SCHEMBL181321 0.99 MMP2 (0.52) MMP2MMP12FFAR1FFAR4MGLL
SCHEMBL7341769 0.96 MMP2 (0.45) MMP2MMP12MGLLPTPN11PTPN2
SCHEMBL6934714 0.88 MMP2 (0.51) MMP2MMP12FFAR1FFAR4PTPN11
SCHEMBL7337990 0.85 MMP2 (0.56) MMP2MMP12FFAR1FFAR4
SCHEMBL2806992 0.84 MMP2 (0.59) MMP2MMP12FFAR1FFAR4
SCHEMBL6937097 0.84 MMP2 (0.59) MMP2MMP12FFAR1FFAR4
SCHEMBL2402609 0.82 MMP2 (0.59) MMP2MMP12FFAR1FFAR4MGLL
SCHEMBL22264120 0.81 MMP2 (0.48) MMP2MMP12FFAR1FFAR4MGLL
SCHEMBL16486830 0.80 MMP2 (0.50) MMP2MMP12FFAR1FFAR4MGLL
SCHEMBL19513816 0.78 PTPN11 (0.51) PTPN11

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-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 EP disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed