SCHEMBL15419989

SCHEMBL15419989

O=C(O)/C(=C\c1ccc(O)cc1)Cc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.80
CYP2C9 P11712 1/20 0.80
FNTA P49354 1/20 0.55
FNTB P49356 1/20 0.55
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
AKR1B1 P15121 3/20 0.46
AKR1B10 O60218 2/20 0.46
CA12 O43570 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
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
CA2 P00918 1/20 0.46
CAMK2A Q9UQM7 1/20 0.46
MMP1 P03956 2/20 0.45
MMP2 P08253 2/20 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
SCHEMBL28209668 1.00 CYP3A4 (0.80) CYP3A4CYP2C9FNTAFNTBMEN1
SCHEMBL58024 0.89 CYP3A4 (1.00) CYP3A4CYP2C9FNTAFNTBMEN1
SCHEMBL58023 0.89 CYP3A4 (1.00) CYP3A4CYP2C9FNTAFNTBMEN1
SCHEMBL2957009 0.87 CYP3A4 (0.96) CYP3A4CYP2C9FNTAFNTBMEN1
SCHEMBL25256792 0.83 CYP3A4 (0.56) CYP3A4CYP2C9MEN1KMT2AAKR1B1
SCHEMBL25302202 0.82 CYP3A4 (0.68) CYP3A4CYP2C9MEN1KMT2AAKR1B1
SCHEMBL25302225 0.81 CYP3A4 (0.53) CYP3A4CYP2C9AKR1B1AKR1B10MMP1
SCHEMBL30814247 0.79 CYP3A4 (0.79) CYP3A4CYP2C9MEN1KMT2AAKR1B1
SCHEMBL453850 0.78 CYP3A4 (0.79) CYP3A4CYP2C9FNTAFNTBMEN1
SCHEMBL453849 0.78 CYP3A4 (0.79) CYP3A4CYP2C9FNTAFNTBMEN1

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-20140023721-A1 METHOD OF EXTRACTING ACTIVE MOLECULES FROM NATURAL RESINS AND USE THEREOF RODE PHARMA S.R.L. (IT) 2014-01-23 US disclosed