SCHEMBL13422356

SCHEMBL13422356

COc1cc(CN(CC(C)C)C(=O)c2ccccc2)cc2c1OC(C)(C)C=C2

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 2/20 0.56
▸ LPAR1 Q92633 2/20 0.48
▸ LPAR5 Q9H1C0 2/20 0.48
▸ PPARD Q03181 1/20 0.45
▸ HIF1A Q16665 5/20 0.44
▸ EPAS1 Q99814 4/20 0.44
▸ COXFA4 O00483 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40

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
SCHEMBL13422249 0.85 EP300 (0.55) EP300PPARDHIF1AEPAS1KDM4E
SCHEMBL13422339 0.81 EP300 (0.47) EP300HIF1AEPAS1COXFA4KDM4E
SCHEMBL13422354 0.81 EP300 (0.54) EP300HIF1AEPAS1KDM4ECASP1
SCHEMBL13422250 0.77 NR1H4 (0.49) EP300LPAR1LPAR5HIF1AEPAS1
SCHEMBL13422353 0.76 ALDH1A1 (0.50) EP300LPAR1HIF1AEPAS1KDM4E
SCHEMBL13422377 0.75 EP300 (0.50) EP300HIF1AEPAS1COXFA4KDM4E
SCHEMBL15070037 0.72 EP300 (1.00) EP300HIF1AEPAS1
SCHEMBL13422255 0.72 SLC2A1 (0.44) EP300LPAR1LPAR5HIF1AEPAS1
SCHEMBL31239009 0.69 LMNA (0.46) EP300COXFA4KDM4ECASP1CASP7
SCHEMBL5476809 0.69 LMNA (0.46) EP300COXFA4KDM4ECASP1CASP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671085-B2 Non-steroidal farnesoid X receptor modulators and methods for the use thereof THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2010-03-02 — — US disclosed
US-7671085-B2 Non-steroidal farnesoid X receptor modulators and methods for the use thereof THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2010-03-02 — — US disclosed
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