SCHEMBL8029861

SCHEMBL8029861

CCCC(NC(=O)c1ccc2c(c1)nc(Cc1ccc(C#N)cc1)n2C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 14/20 0.49
▸ AGTR1 P30556 1/20 0.47
▸ BCHE P06276 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ HDAC6 Q9UBN7 4/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ FPR1 P21462 1/20 0.44

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
SCHEMBL8032010 0.85 CNR2 (0.48) PPARGBCHECNR2HDAC6HDAC1
SCHEMBL8015782 0.81 RORC (0.58) PPARGHDAC6HDAC1
SCHEMBL8029864 0.78 ALDH1A1 (0.49) BCHECNR2HDAC6HDAC1
SCHEMBL8026757 0.77 CNR2 (0.45) BCHECNR2HDAC6HDAC1
SCHEMBL7249259 0.77 EPHX2 (0.48) BCHECNR2HDAC6HDAC1
SCHEMBL8029865 0.75 HDAC6 (0.51) BCHECNR2HDAC6HDAC1
SCHEMBL8029791 0.75 RORC (0.45) CNR2HDAC6HDAC1
SCHEMBL8028885 0.75 HDAC6 (0.46) BCHECNR2HDAC6HDAC1
SCHEMBL8016092 0.75 HDAC6 (0.47) BCHECNR2HDAC6HDAC1
Hydrochloric Acid SCHEMBL8028881 0.73 F2 (0.58) PPARGHDAC6HDAC1

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-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 — — US disclosed
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