SCHEMBL12640705

SCHEMBL12640705

C1=CC2Oc3c(-c4cccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccc(-c7ccc8ccccc8c7)cc56)c4)cccc3C2C=C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
PIM1 P11309 1/20 0.31

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
SCHEMBL12640760 0.96 EDNRB (0.32) GPR84PIM1
SCHEMBL12640765 0.94 GPR84 (0.34) GPR84HSD17B1HSD17B2
SCHEMBL10082723 0.93 HSD17B1 (0.35) GPR84HSD17B1HSD17B2
SCHEMBL179122 0.92 GPR84 (0.36) GPR84HSD17B1HSD17B2PIM1
SCHEMBL4186277 0.91 HSD17B1 (0.34) GPR84HSD17B1HSD17B2
SCHEMBL10358175 0.91 GPR84 (0.34) GPR84HSD17B1HSD17B2
SCHEMBL179191 0.91 EDNRB (0.32) GPR84
SCHEMBL20365304 0.88 GPR84 (0.34) GPR84HSD17B1HSD17B2PIM1
SCHEMBL179248 0.88 EDNRB (0.34) GPR84
SCHEMBL10146790 0.87 GPR84 (0.34) GPR84HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110156016-A1 ORGANIC LIGHT-EMITTING MEDIUM AND ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2011-06-30 US disclosed