SCHEMBL25844185

SCHEMBL25844185

COc1ccc(C2(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)C=Cc3c4c(c5ccccc5c3O2)-c2ccc(C)cc2C4(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.34
MAPT P10636 4/20 0.32
TP53 P04637 1/20 0.32
ACACA Q13085 1/20 0.31
ATM Q13315 1/20 0.31
RAB9A P51151 3/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
ALKBH3 Q96Q83 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL25844182 1.00 GPR84 (0.34) GPR84MAPTTP53ACACAATM
SCHEMBL25844009 0.96 TP53 (0.34) GPR84MAPTTP53KDM4ELMNA
SCHEMBL25844011 0.96 TP53 (0.32) GPR84MAPTTP53KDM4ELMNA
SCHEMBL25844151 0.95 MAPT (0.31) MAPTTP53RAB9AKDM4ELMNA
SCHEMBL25844013 0.94 LTA4H (0.32) GPR84MAPTTP53KDM4EALDH1A1
SCHEMBL9926878 0.94 GPR84 (0.35) GPR84ACACARAB9AKDM4ELMNA
SCHEMBL25844169 0.93 GPR84 (0.30) GPR84
SCHEMBL25844170 0.93 GPR84 (0.30) GPR84
SCHEMBL25844048 0.92
SCHEMBL25844033 0.91 GPR84 (0.31) 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-20230227717-A1 PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-07-20 US disclosed