SCHEMBL8577009

SCHEMBL8577009

O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1[CH]c1c(C(=O)O)ccc(C(=O)O)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 6/20 0.40
ALOX15 P16050 1/20 0.40
SELL P14151 1/20 0.38
SELP P16109 1/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA14 Q9ULX7 3/20 0.37
TSHR P16473 2/20 0.37
AKR1C3 P42330 1/20 0.37
HSD17B10 Q99714 2/20 0.36
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CASP1 P29466 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL7537564 0.84 CYP1A2 (0.44) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL1988762 0.79 CYP1A2 (0.61) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL22989 0.79 CYP1A2 (0.61) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL29445717 0.79 CYP1A2 (0.61) CYP1A2ALDH1A1ALOX15SELLSELP
Mellitic Acid SCHEMBL2426221 0.76 CYP1A2 (0.58) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL8879805 0.76 CYP1A2 (0.58) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL5550251 0.76 CYP1A2 (0.58) CYP1A2ALDH1A1ALOX15SELLSELP
Hydrochloric Acid SCHEMBL18124413 0.76 CYP1A2 (0.58) CYP1A2ALDH1A1ALOX15SELLSELP
Ammonia Solution, Strong SCHEMBL5023112 0.76 CYP1A2 (0.58) CYP1A2ALDH1A1ALOX15SELLSELP
Hydrochloric Acid SCHEMBL10351177 0.76 CYP1A2 (0.58) CYP1A2ALDH1A1ALOX15SELLSELP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed