SCHEMBL28675472

SCHEMBL28675472

O=C(O)c1cc(C=Cc2cccc(O)c2)cc(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 4/20 0.65
LCK P06239 2/20 0.63
P4HB P07237 2/20 0.62
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA6 P23280 1/20 0.55
CA9 Q16790 1/20 0.55
CCNB2 O95067 1/20 0.53
CDK1 P06493 1/20 0.53
CDK4 P11802 1/20 0.53
CCNB1 P14635 1/20 0.53
CCND1 P24385 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53
UNG P13051 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50

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
SCHEMBL10807599 0.86 TTR (0.70) TTRLCKP4HBCA12CA1
SCHEMBL10807601 0.86 TTR (0.70) TTRLCKP4HBCA12CA1
SCHEMBL22887505 0.84 TTR (0.62) TTRLCKP4HBCA12CA1
SCHEMBL10806786 0.83 TTR (0.59) TTRUNGFBP1
SCHEMBL10806782 0.83 TTR (0.59) TTRUNGFBP1
SCHEMBL808972 0.81 TTR (0.79) TTRP4HBCA12CA1CA2
SCHEMBL9075299 0.81 TTR (0.79) TTRP4HBCA12CA1CA2
SCHEMBL8899992 0.81 TTR (0.79) TTRP4HBCA12CA1CA2
SCHEMBL808971 0.81 TTR (0.79) TTRP4HBCA12CA1CA2
SCHEMBL13338339 0.80 LCK (0.86) LCKCA12CA2CA9CCNB2

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
CN-113912838-A Flame-retardant anti-dripping copolymerized nylon and preparation method and application thereof 四川大学 2022-01-11 CN disclosed