SCHEMBL8962196

SCHEMBL8962196

COc1ccccc1C(=O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.70
CDC25A P30304 1/20 0.70
HSD17B10 Q99714 1/20 0.70
LMNA P02545 2/20 0.57
RAB9A P51151 2/20 0.57
AKR1C3 P42330 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 3/20 0.54
LTC4S Q16873 1/20 0.54
HTT P42858 1/20 0.53
STS P08842 1/20 0.52
POLB P06746 2/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
AKR1C2 P52895 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 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
SCHEMBL14831881 0.87 HPGD (0.58) CDC25BCDC25AHSD17B10LMNARAB9A
SCHEMBL8962412 0.84 LMNA (0.72) CDC25BCDC25AHSD17B10LMNARAB9A
SCHEMBL8439039 0.83 ALDH1A1 (0.64) HSD17B10LMNARAB9AAKR1C3KDM4E
SCHEMBL6005099 0.83 CDC25B (0.68) CDC25BHSD17B10LMNARAB9AAKR1C3
SCHEMBL3074652 0.83 CDC25B (1.00) CDC25BCDC25AHSD17B10LMNAAKR1C3
SCHEMBL2058645 0.83 CDC25B (1.00) CDC25BCDC25AHSD17B10LMNAAKR1C3
SCHEMBL8810715 0.83 MRGPRX4 (0.55) HSD17B10LMNARAB9AKDM4EALDH1A1
SCHEMBL1443872 0.83 LMNA (0.67) CDC25BCDC25AHSD17B10LMNAAKR1C3
SCHEMBL31527683 0.83 LMNA (0.67) CDC25BCDC25AHSD17B10LMNAAKR1C3
SCHEMBL11576360 0.82 CYP1A2 (0.70) ALDH1A1HTTSTSKMT2AMAPT

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