SCHEMBL8962320

SCHEMBL8962320

O=C(c1ccc(C(=O)O)c(C(=O)O)c1)c1ccccc1F

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.77
HSD17B10 Q99714 2/20 0.77
CDC25A P30304 1/20 0.77
KDM4E B2RXH2 2/20 0.59
POLB P06746 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 4/20 0.54
AKR1C3 P42330 3/20 0.53
ATM Q13315 1/20 0.51
NR4A1 P22736 1/20 0.50
ALOX15 P16050 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
LMNA P02545 2/20 0.47
ALB P02768 1/20 0.46
MEN1 O00255 1/20 0.46
GMNN O75496 1/20 0.46
TTR P02766 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL2058645 0.87 CDC25B (1.00) CDC25BHSD17B10CDC25AKDM4EPOLB
SCHEMBL3074652 0.87 CDC25B (1.00) CDC25BHSD17B10CDC25AKDM4EPOLB
SCHEMBL257674 0.87 ALDH1A1 (0.64) CDC25BHSD17B10CDC25AKDM4EPOLB
SCHEMBL7118447 0.82 SRD5A2 (0.59) CDC25BHSD17B10CDC25AKDM4EALDH1A1
SCHEMBL256745 0.82 CDC25B (0.51) CDC25BHSD17B10CDC25AKDM4EPOLB
SCHEMBL9178259 0.81 ALDH1A1 (0.61) CDC25BHSD17B10CDC25AALDH1A1AKR1C3
SCHEMBL10759830 0.81 CES2 (0.62) CDC25BHSD17B10KDM4ETDP1ALDH1A1
SCHEMBL10047111 0.81 CDC25B (0.50) CDC25BHSD17B10CDC25AKDM4EPOLB
SCHEMBL9487939 0.80 HSD17B14 (0.57) CDC25BHSD17B10CDC25AKDM4ETDP1
SCHEMBL1295856 0.80 CDC25B (0.78) CDC25BHSD17B10CDC25AKDM4EPOLB

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-5530130-A DYEING PLASTICS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
EP-0639624-A1 Phthaloperinone dyestuffs BAYER AG (DE) 1995-02-22 EP disclosed