SCHEMBL8972767

SCHEMBL8972767

Oc1ccc(-c2ccc(Oc3ccc(Oc4cccc(O)c4)cc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.59
NR1H2 P55055 1/20 0.59
BAX Q07812 1/20 0.59
HSD17B1 P14061 3/20 0.57
HSD17B2 P37059 3/20 0.57
ESR1 P03372 5/20 0.56
ESR2 Q92731 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAF1 P04049 1/20 0.46
BRAF P15056 1/20 0.46
MITF O75030 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 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
SCHEMBL8069693 0.96 CYP3A4 (0.54) LTA4HNR1H2BAXHSD17B1HSD17B2
SCHEMBL37670120 0.94 LTA4H (0.67) LTA4HNR1H2BAXHSD17B1HSD17B2
SCHEMBL70648 0.94 LTA4H (0.67) LTA4HNR1H2BAXHSD17B1HSD17B2
SCHEMBL28419866 0.94 LTA4H (0.67) LTA4HNR1H2BAXHSD17B1HSD17B2
SCHEMBL2906301 0.92 LTA4H (0.64) LTA4HNR1H2BAXHSD17B1HSD17B2
SCHEMBL9292956 0.91 HSD17B1 (0.68) LTA4HNR1H2BAXHSD17B1HSD17B2
SCHEMBL21311883 0.90 HSD17B1 (0.67) LTA4HNR1H2BAXHSD17B1HSD17B2
SCHEMBL5027612 0.89 LTA4H (0.58) LTA4HNR1H2BAXESR1ESR2
SCHEMBL29458645 0.89 LTA4H (0.58) LTA4HNR1H2BAXESR1ESR2
SCHEMBL8076305 0.89 LTA4H (0.58) LTA4HNR1H2BAXESR1ESR2

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
EP-0699216-A1 MELT PROCESSABLE POLYESTERS AND POLY(IMIDE-ESTERS) E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-03-06 EP claimed
WO-1994028052-A1 MELT PROCESSABLE POLYESTERS AND POLY(IMIDE-ESTERS) E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-12-08 WO claimed