SCHEMBL20032520

SCHEMBL20032520

COC(=O)C(C)(C)Cc1cc(C)cc(CC(C)(C)C(=O)OC)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.42
▸ CNR1 P21554 2/20 0.42
▸ POLB P06746 2/20 0.38
▸ PGK1 P00558 1/20 0.37
▸ PGK2 P07205 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SLC7A5 Q01650 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ TACR1 P25103 1/20 0.34

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
SCHEMBL21423155 0.84 NOTUM (0.36) CNR2CNR1KMT2A
SCHEMBL17106362 0.83 MAOB (0.42) POLBMAPTKDM4EKMT2AMEN1
SCHEMBL11530777 0.81 HPGD (0.45) CNR2CNR1MAPTTP53RAB9A
SCHEMBL11509018 0.80 PTPRB (0.47) —
SCHEMBL5198639 0.79 RIPK1 (0.45) —
SCHEMBL1249256 0.78 CYP3A4 (0.33) CNR2CNR1MAPTKMT2AMEN1
SCHEMBL20032507 0.77 CYP4A11 (0.45) CNR2CNR1
SCHEMBL20032506 0.77 CYP4A11 (0.45) CNR2CNR1
SCHEMBL11648125 0.76 PTGS1 (0.44) POLBMAPTKDM4ETP53RAB9A
SCHEMBL563644 0.76 PARP10 (0.42) POLBPGK1PGK2MAPTKDM4E

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
WO-2018060280-A1 ENDOSOMOLYTIC AGENTS FOR GENE THERAPY UCB BIOPHARMA SPRL (BE) 2018-04-05 — — WO disclosed
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