SCHEMBL11725573

SCHEMBL11725573

COc1cccc(-c2oc3ccccc3c2C(=O)c2cc(C)cc(C)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.61
▸ KDM4E B2RXH2 3/20 0.59
▸ HPGD P15428 3/20 0.59
▸ TP53 P04637 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ ALOX12 P18054 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ BCHE P06276 8/20 0.55
▸ CSNK2A2 P19784 1/20 0.53
▸ CSNK2B P67870 1/20 0.53
▸ CSNK2A1 P68400 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL11726697 0.88 L3MBTL1 (0.79) L3MBTL1HPGDCYP2C19CYP2C9BCHE
SCHEMBL11732158 0.84 CYP2C19 (0.57) L3MBTL1KDM4EHPGDMAPTCYP2C19
SCHEMBL11673894 0.84 L3MBTL1 (0.69) L3MBTL1KDM4EHPGDTP53MAPT
SCHEMBL11673096 0.83 L3MBTL1 (0.79) L3MBTL1MAPTCYP2C19CYP3A4CYP2C9
SCHEMBL11734945 0.82 APP (0.62) TP53MAPTTSHRMEN1CYP3A4
SCHEMBL11729208 0.81 APP (0.69) BCHEACHECNR2CNR1
SCHEMBL11728862 0.79 L3MBTL1 (0.57) L3MBTL1KDM4EHPGDTP53CYP2C19
SCHEMBL11731169 0.79 ADRB2 (0.52) MEN1CYP2D6KMT2ABCHEATM
SCHEMBL11673920 0.78 L3MBTL1 (0.92) L3MBTL1CYP2C19BCHEATMCNR2
SCHEMBL6586815 0.78 L3MBTL1 (0.73) L3MBTL1KDM4EHPGDMAPTCYP2C19

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-4001426-A HAVING CORONARY VASODILATOR ACTIVITY SMITHKLINE CORPORATION (US) 1977-01-04 — — US disclosed
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