SCHEMBL7767112

SCHEMBL7767112

O=C(Oc1ccccc1)c1ccccc1OCC(O)CO

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.51
KDM4E B2RXH2 3/20 0.51
AGTR1 P30556 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ABCB1 P08183 5/20 0.46
KCNH2 Q12809 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL11333663 0.84 LMNA (0.56) CYP1A2KDM4ELMNAMAPTKMT2A
SCHEMBL7050989 0.83 CYP1A2 (0.58) CYP1A2KDM4EAGTR1LMNAKMT2A
SCHEMBL29701288 0.82 HPGD (0.54) CYP1A2KDM4ELMNAMAPTKMT2A
SCHEMBL4384585 0.82 MAPT (0.56) CYP1A2KDM4ELMNAMAPTKMT2A
Bicarbonate SCHEMBL29983441 0.81 HPGD (0.52) CYP1A2KDM4ELMNAMAPTKMT2A
SCHEMBL7754052 0.79 ABCB1 (0.69) CYP1A2KDM4EAGTR1LMNAABCB1
SCHEMBL7772665 0.79 MAPT (0.51) CYP1A2KDM4ELMNAMAPTKMT2A
SCHEMBL6284553 0.79 ALDH1A1 (0.57) CYP1A2KDM4ELMNAMAPTKMT2A
SCHEMBL11631740 0.79 CYP1A2 (0.57) CYP1A2KDM4EAGTR1LMNAKMT2A
SCHEMBL6675280 0.79 CYP1A2 (0.61) CYP1A2KDM4EAGTR1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763579-B1 Bleed alleviated aqueous pigment dispersion-based ink-jet ink compositions HEWLETT PACKARD CO (US) 2001-07-11 EP disclosed
EP-0839881-A2 Bleed alleviated aqueous pigment dispersion-based ink-jet ink compositions Hewlett-Packard Company (US) 1998-05-06 EP disclosed
US-5713989-A Bleed alleviated aqueous pigment dispersion-based ink-jet ink compositions HEWLETT-PACKARD COMPANY (US) 1998-02-03 US disclosed
EP-0763579-A1 Bleed alleviated aqueous pigment dispersion-based ink-jet ink compositions Hewlett-Packard Company (US) 1997-03-19 EP disclosed
US-5531816-A Bleed-alleviated, waterfast, pigment-based ink-jet ink compositions HEWLETT-PACKARD COMPANY (US) 1996-07-02 US disclosed