SCHEMBL8126131

SCHEMBL8126131

COC1CCC(Cc2c(C)cc[nH]c2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.40
▸ PARP14 Q460N5 1/20 0.36
▸ ROCK1 Q13464 3/20 0.35
▸ GRM1 Q13255 2/20 0.34
▸ CFB P00751 11/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ BRD4 O60885 2/20 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
SCHEMBL1346579 0.83 JAK2 (0.35) DAOROCK1BRD4
SCHEMBL1346674 0.82 DAO (0.41) DAOBRD4
SCHEMBL2172919 0.70 DAO (0.38) DAOROCK1BRD4
SCHEMBL27157561 0.67 DAO (0.36) DAOROCK1BRD4
SCHEMBL10110509 0.67 NOS3 (0.35) DAOBRD4
SCHEMBL8112120 0.67 DAO (0.39) DAOPARP14GRM1BRD4
SCHEMBL8150665 0.67 DAO (0.39) DAOPARP14GRM1BRD4
SCHEMBL9284095 0.66 AURKA (0.34) DAOBRD4
SCHEMBL17060505 0.66 DAO (0.34) DAOBRD4
SCHEMBL3174185 0.65 SMN1; SMN2 (0.40) —

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
EP-1045836-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2000-10-25 — — EP disclosed
WO-1999031066-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-06-24 — — WO disclosed
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