SCHEMBL28085590

SCHEMBL28085590

COC(=O)Cc1ccc(Cl)cc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 12/20 0.52
MRGPRX4 Q96LA9 2/20 0.48
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM5A P29375 1/20 0.47
KDM2B Q8NHM5 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
PPIA P62937 1/20 0.46

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
SCHEMBL5446276 0.85 L3MBTL1 (0.53) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29284729 0.84 LMNA (0.52) PTGER1ALDH1A1RAB9A
SCHEMBL20954700 0.84 MTNR1A (0.58) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL28085585 0.84 FFAR4 (0.49) PTGER1MRGPRX4NPC1PPIA
SCHEMBL28085734 0.84 MTNR1A (0.46) NPC1RAB9ASMN1; SMN2
SCHEMBL31757763 0.83 L3MBTL1 (0.56) PTGER1ALDH1A1TP53
SCHEMBL2988197 0.83 L3MBTL1 (0.56) PTGER1ALDH1A1TP53
SCHEMBL28085676 0.83 CFD (0.53) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL20954694 0.82 MTNR1A (0.48) MRGPRX4NPC1ALDH1A1TP53RAB9A
SCHEMBL28204618 0.82 KEAP1 (0.45) MRGPRX4ALDH1A1

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
CN-105849111-A Pyranochromenyl phenol derivative, and pharmaceutical composition for treating metabolic syndrome or inflammatory disease 依如睦生物科技株式会社 2016-08-10 CN disclosed