SCHEMBL11235978

SCHEMBL11235978

Cc1ccc(C(=O)OCC=Cc2ccccc2)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ CACNA1B Q00975 7/20 0.52
▸ EGFR P00533 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.48
▸ MMP1 P03956 1/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ MMP12 P39900 1/20 0.48
▸ NFE2L2 Q16236 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ACLY P53396 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL11233694 0.91 EGFR (0.60) KMT2AMEN1CACNA1BEGFRMMP1
SCHEMBL28158149 0.83 EGFR (0.57) KMT2AMEN1CACNA1BEGFRKDM4E
SCHEMBL28894463 0.83 EGFR (0.57) KMT2AMEN1CACNA1BEGFRKDM4E
SCHEMBL7647241 0.77 CYP3A4 (0.56) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL11229669 0.77 MMP1 (0.52) KMT2AMEN1CACNA1BEGFRKDM4E
SCHEMBL6832248 0.76 TDP1 (0.67) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL1129358 0.75 CYP3A4 (0.57) KMT2AMEN1CACNA1BEGFRMMP1
SCHEMBL3309126 0.75 CA12 (0.74) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL8164747 0.75 MMP1 (0.49) CACNA1BEGFRMMP1MMP2MMP9
SCHEMBL25202940 0.75 NFE2L2 (0.75) KMT2AMEN1KDM4EMMP1MMP2

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
US-4317917-A ANTIINFLAMMATORY, ANALGESIC, ANTIBACTERIAL AUSONIA FARMACEUTICI S.R.L. (IT) 1982-03-02 — — US disclosed
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