SCHEMBL22706163

SCHEMBL22706163

c1ccc(-c2ccc(-c3c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)c4cc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)cccc34)cc2)cc1

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
BRCA1 P38398 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL22706267 0.97 GPR84 (0.31) GPR84ALDH1A1CYP2C9HPGDALOX15
SCHEMBL22707592 0.96 GPR84 (0.31) GPR84ALDH1A1CYP2C9HPGDALOX15
SCHEMBL22706266 0.90 GPR84 (0.33) GPR84
SCHEMBL22706851 0.87 KDM4E (0.33) GPR84
SCHEMBL22706153 0.86 PDK2 (0.32)
SCHEMBL22706832 0.86 KDM4E (0.35) GPR84ALDH1A1HPGD
SCHEMBL22707149 0.86 GPR84 (0.31) GPR84
SCHEMBL22707170 0.86 ALOX5 (0.33)
SCHEMBL22707423 0.84
SCHEMBL22708207 0.84 CES1 (0.38) GPR84

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-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 US disclosed