SCHEMBL22707757

SCHEMBL22707757

c1ccc(C2(c3ccccc3)c3ccccc3Oc3c(-c4cccc5c(-c6c7cccc(-c8ccc9ccccc9c8)c7cc7c(-c8ccc9ccccc9c8)cccc67)c6cccc(-c7cccc8c7Oc7ccccc7C8(c7ccccc7)c7ccccc7)c6cc45)cccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.37
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
S1PR4 O95977 4/20 0.32
S1PR5 Q9H228 4/20 0.32
GSTP1 P09211 1/20 0.31
PIM1 P11309 1/20 0.30
PRKDC P78527 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL22706766 0.95 GPR84 (0.35) GPR84HDAC4HDAC2HDAC8PIM1
SCHEMBL22705917 0.92 GPR84 (0.32) GPR84
SCHEMBL22706629 0.89 GPR84 (0.36) GPR84
SCHEMBL22707467 0.89 GPR84 (0.32) GPR84
SCHEMBL22707996 0.88 GPR84 (0.35) GPR84HDAC4HDAC2HDAC8S1PR4
SCHEMBL22706496 0.88 GPR84 (0.36) GPR84
SCHEMBL22706650 0.87
SCHEMBL22707219 0.85
SCHEMBL22706040 0.85 GPR84 (0.30) GPR84
SCHEMBL22707536 0.85 KDM4E (0.30)

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