SCHEMBL29319737

SCHEMBL29319737

Oc1cc(O)cc(-c2ccc(F)c(F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.54
ABL1 P00519 4/20 0.54
BCR P11274 4/20 0.54
HSD17B1 P14061 5/20 0.52
HSD17B2 P37059 5/20 0.52
ESR1 P03372 5/20 0.48
ESR2 Q92731 4/20 0.48
KIF11 P52732 1/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CYP17A1 P05093 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL19285828 0.95 HSD17B1 (0.52) ABCB1ABL1BCRHSD17B1HSD17B2
SCHEMBL1513602 0.83 KIF11 (0.61) ABCB1ABL1BCRHSD17B1HSD17B2
SCHEMBL13741967 0.82 CYP17A1 (0.52) HSD17B1HSD17B2ESR1ESR2KIF11
SCHEMBL29319710 0.80 ABL1 (0.48) ABCB1ABL1BCRHSD17B1HSD17B2
SCHEMBL8041761 0.79 ESR1 (0.62) ABCB1HSD17B1HSD17B2ESR1ESR2
SCHEMBL21199950 0.78 ESR1 (0.61) HSD17B1HSD17B2ESR1ESR2CYP17A1
SCHEMBL19665030 0.77 CYP17A1 (0.45) HSD17B1HSD17B2ESR1ESR2CYP17A1
SCHEMBL29319706 0.77 ABL1 (0.48) ABCB1ABL1BCRHSD17B1HSD17B2
SCHEMBL31402955 0.77 HSD17B1 (0.58) HSD17B1HSD17B2CYP17A1CYP11B1CYP11B2
SCHEMBL29319726 0.77 KIF11 (0.55) ABCB1ABL1BCRHSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239931-A1 FLUORINATED RESORCINOL AND HYDROQUINONE ANALOGS AS CURING AGENTS FOR FLUOROELASTOMERS CHEMOURS COMPANY FC, LLC, THE 2024-07-18 US disclosed
US-20240239931-A1 FLUORINATED RESORCINOL AND HYDROQUINONE ANALOGS AS CURING AGENTS FOR FLUOROELASTOMERS CHEMOURS COMPANY FC, LLC, THE 2024-07-18 US disclosed