SCHEMBL25844009

SCHEMBL25844009

COc1ccc(C2(c3ccccc3)C=Cc3c4c(c5ccccc5c3O2)-c2ccc(C)cc2C4(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
MAPT P10636 1/20 0.34
GPR84 Q9NQS5 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ACHE P22303 1/20 0.30
IDO1 P14902 2/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL25844011 0.98 TP53 (0.32) TP53MAPTGPR84KDM4EMEN1
SCHEMBL25844151 0.97 MAPT (0.31) TP53MAPTKDM4EMEN1ALDH1A1
SCHEMBL25844182 0.96 GPR84 (0.34) TP53MAPTGPR84KDM4EMEN1
SCHEMBL25844185 0.96 GPR84 (0.34) TP53MAPTGPR84KDM4EMEN1
SCHEMBL25844013 0.95 LTA4H (0.32) TP53MAPTGPR84KDM4EALDH1A1
SCHEMBL25844693 0.95 TP53 (0.33) TP53MAPTKDM4EMEN1ALDH1A1
SCHEMBL25844048 0.94
SCHEMBL25529761 0.93 TP53 (0.32) TP53MAPTKDM4EMEN1ALDH1A1
SCHEMBL25844692 0.93 KDM4E (0.34) TP53MAPTKDM4EMEN1ALDH1A1
SCHEMBL25844007 0.92 LMNA (0.30) LMNA

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