SCHEMBL25844158

SCHEMBL25844158

COC(=O)c1ccc(C2(c3ccc(OC)cc3)C=Cc3c4c(c5ccccc5c3O2)-c2ccc(C)cc2C4(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
EIF4A1 P60842 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33

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 0.93 TP53 (0.32) TP53MAPTGPR84ALDH1A1HPGD
SCHEMBL25844151 0.92 MAPT (0.31) TP53MAPTRAB9AALDH1A1HPGD
SCHEMBL25844009 0.91 TP53 (0.34) TP53MAPTGPR84SMN1; SMN2ALDH1A1
SCHEMBL25604638 0.91 CA1 (0.38) TP53MAPTCA1CA2EIF4A1
SCHEMBL26640830 0.90 HTT (0.36) MAPTCA1CA2EIF4A1GPR84
SCHEMBL25844185 0.90 GPR84 (0.34) TP53MAPTGPR84NPC1RAB9A
SCHEMBL25844182 0.90 GPR84 (0.34) TP53MAPTGPR84NPC1RAB9A
SCHEMBL25601770 0.90 RXFP1 (0.36) TP53MAPTCA1CA2EIF4A1
SCHEMBL25844013 0.89 LTA4H (0.32) TP53MAPTGPR84SMN1; SMN2ALDH1A1
SCHEMBL25844048 0.89

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