SCHEMBL9003403

SCHEMBL9003403

O=C(O)c1cc(Cc2ccc(OCCOc3ccccc3)cc2)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 2/20 0.72
KLKB1 P03952 1/20 0.66
CTSB P07858 1/20 0.66
MMP9 P14780 1/20 0.66
DNMT1 P26358 1/20 0.66
DNMT3B Q9UBC3 1/20 0.66
DNMT3L Q9UJW3 1/20 0.66
DNMT3A Q9Y6K1 1/20 0.66
ACMSD Q8TDX5 1/20 0.56
MCL1 Q07820 1/20 0.56
PKM P14618 1/20 0.51
ALDH1A1 P00352 2/20 0.51
LCK P06239 1/20 0.49
SRD5A2 P31213 1/20 0.48
LTA4H P09960 4/20 0.46
IDH1 O75874 1/20 0.46
PTPN1 P18031 2/20 0.46
PTPN2 P17706 1/20 0.46
PTPN6 P29350 1/20 0.46
PARP10 Q53GL7 1/20 0.45

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
SCHEMBL9003347 0.89 KLKB1 (0.62) HNF4AKLKB1CTSBMMP9DNMT1
SCHEMBL9003595 0.89 LCK (0.60) HNF4AKLKB1CTSBMMP9DNMT1
SCHEMBL9303557 0.86 PKM (0.59) HNF4AACMSDMCL1PKMALDH1A1
SCHEMBL9003351 0.86 KAT8 (0.55) HNF4AKLKB1CTSBMMP9DNMT1
SCHEMBL9003186 0.85 KAT8 (0.60) HNF4AKLKB1CTSBMMP9DNMT1
SCHEMBL9003322 0.85 KAT8 (0.60) HNF4AKLKB1CTSBMMP9DNMT1
SCHEMBL9003598 0.85 KAT8 (0.60) HNF4AKLKB1CTSBMMP9DNMT1
SCHEMBL5446640 0.85 HNF4A (1.00) HNF4AKLKB1CTSBMMP9DNMT1
SCHEMBL27396608 0.85 HNF4A (1.00) HNF4AKLKB1CTSBMMP9DNMT1
SCHEMBL9304751 0.84 KAT8 (0.63) HNF4AKLKB1CTSBMMP9DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0424914-B1 Recording material NEW OJI PAPER CO LTD (JP) 1996-09-25 EP disclosed
US-5276001-A Color developer comprising salicylic acid derivative KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-01-04 US disclosed
US-5096872-A Colorless basic dye reacts with salicylic acid derivative to form colored image, paper KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1992-03-17 US disclosed
EP-0424914-A2 Recording material NEW OJI PAPER CO., LTD. (JP) 1991-05-02 EP disclosed