SCHEMBL5328110

SCHEMBL5328110

C=CCC(Cc1cc2ccccc2oc1=O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.56
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MAOB P27338 7/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA1 P00915 1/20 0.46
CA3 P07451 1/20 0.46
TSHR P16473 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
GPR35 Q9HC97 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAOA P21397 3/20 0.43

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
SCHEMBL8250119 0.87 ADAM17 (0.59) ADAM17MMP2MMP9MAOBRAB9A
SCHEMBL8250122 0.87 ADAM17 (0.74) ADAM17MMP2MMP9MAOBRAB9A
SCHEMBL5295735 0.84 ADAM17 (0.78) ADAM17MMP2MMP9MAOBCA12
SCHEMBL5281333 0.78 MMP2 (0.52) ADAM17MMP2MMP9MAOBCA12
SCHEMBL3267547 0.75 MAOA (0.54) ADAM17MMP2MMP9MAOBCA12
SCHEMBL5304680 0.74 ADAM17 (0.78) ADAM17MMP2MMP9MAOBCA12
SCHEMBL2403666 0.72 RAB9A (0.59) ADAM17MMP2MMP9MAOBCA12
SCHEMBL25934291 0.72 MAOB (0.56) ADAM17MMP2MMP9MAOBCA12
SCHEMBL8858225 0.72 MMP2 (0.51) ADAM17MMP2MMP9MAOBCA12
Acetic Acid SCHEMBL11097867 0.71 MAOB (0.61) ADAM17MMP2MMP9MAOBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007008037-A1 NOVEL CHROMEN-2-ONE BASED HYDROXAMIC ACID DERIVATIVES HAVING ANTI-INFLAMMATORY ACTIVITY, THE PREPARATION THEREOF AND A COMPOSITION CONTAINING THE SAME FOR TREATING INFLAMMATORY DISEASE JEIL PHARMACEUTICAL CO., LTD. (KR) 2007-01-18 WO disclosed