SCHEMBL6561672

SCHEMBL6561672

CC/C(=C/c1cc(OC)c(O)c(OC)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2B6 P20813 1/20 0.50
ALOX5 P09917 2/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47

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
SCHEMBL2394287 1.00 PKM (0.53) PKMPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL31302634 1.00 PKM (0.53) PKMPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL28310737 0.87 HTR1A (0.53) KMT2AMAPTLMNAMEN1KDM4E
SCHEMBL1259790 0.86 KMT2A (0.50) PKMPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9124323 0.84 PKM (0.50) PKMPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9124329 0.84 PKM (0.50) PKMPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL3637129 0.83 MAPT (0.60) PKMPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL10350136 0.83 MAPT (0.60) PKMPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL1405662 0.83 MAPT (0.60) PKMPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL8588648 0.83 GAA (0.58) PKMPTGS1CYP1A2KMT2AMEN1

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
EP-1137391-B1 METHOD FOR TREATING HAIR NOVOZYMES AS (DK) 2004-11-03 EP claimed