SCHEMBL6557416

SCHEMBL6557416

Cc1cccc(C)c1-c1ccc2c3c(ccc2c1)OP(=O)([O-])Oc1ccc2cc(-c4c(C)cccc4C)ccc2c1-3.Cc1cccc(C)c1-c1ccc2c3c(ccc2c1)OP(=O)([O-])Oc1ccc2cc(-c4c(C)cccc4C)ccc2c1-3.Cc1cccc(C)c1-c1ccc2c3c(ccc2c1)OP(=O)([O-])Oc1ccc2cc(-c4c(C)cccc4C)ccc2c1-3.[Yb+3]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.50
SRC P12931 1/20 0.36
GRIA1 P42261 3/20 0.35
CACNG8 Q8WXS5 3/20 0.35
HSD17B1 P14061 6/20 0.34
HSD17B2 P37059 6/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2B6 P20813 2/20 0.34
CYP2C19 P33261 2/20 0.34
HTR7 P34969 1/20 0.34
ABL1 P00519 2/20 0.33
HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL6557257 0.97 GPR84 (0.50) GPR84SRCGRIA1CACNG8HSD17B1
SCHEMBL6556996 0.97 GPR84 (0.50) GPR84SRCGRIA1CACNG8HSD17B1
SCHEMBL297439 0.85 GPR84 (0.69) GPR84HSD17B1HSD17B2CYP1A2CYP3A4
SCHEMBL6557297 0.85 GPR84 (0.51) GPR84SRCGRIA1CACNG8HSD17B1
SCHEMBL6557612 0.69 HSD17B1 (0.61) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL6557610 0.69 GPR84 (0.77) GPR84
SCHEMBL6557398 0.68 GPR84 (0.39) GPR84CYP3A4
Water SCHEMBL6557294 0.68 HSD17B1 (0.59) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL6557278 0.67 GPR84 (1.00) GPR84
SCHEMBL8084499 0.67 HSD17B1 (0.40) SRCGRIA1CACNG8HSD17B1HSD17B2

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
EP-1038877-B1 Binaphthol monophosphoric acid derivative and its use TOSOH CORP (JP) 2004-03-10 EP disclosed
US-6274745-B1 CATALYST TOSOH CORPORATION (JP) 2001-08-14 US disclosed
EP-1038877-A1 Binaphthol monophosphoric acid derivative and its use Tosoh Corporation (JP) 2000-09-27 EP disclosed