SCHEMBL17894072

SCHEMBL17894072

CN1C(=O)N2CC(C(=O)O)CCC2CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ APLNR P35414 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL17893911 0.85 BTK (0.42) ALDH1A1MAPTKMT2A
SCHEMBL15878300 0.78 POLB (0.41) POLBGAAALDH1A1APLNRMAPT
SCHEMBL17893916 0.78 POLB (0.41) POLBGAAALDH1A1APLNRMAPT
SCHEMBL15878656 0.74 POLB (0.44) POLBGAAALDH1A1MAPTKMT2A
SCHEMBL15878658 0.74 POLB (0.44) POLBGAAALDH1A1MAPTKMT2A
SCHEMBL11073784 0.69 POLB (0.56) POLBGAAALDH1A1MAPTKMT2A
SCHEMBL17892543 0.68 BTK (0.44) POLBGAAALDH1A1KMT2AMEN1
SCHEMBL23236621 0.66 POLB (0.57) POLBGAAALDH1A1KMT2AMEN1
SCHEMBL15878151 0.66 POLB (0.57) POLBGAAALDH1A1KMT2AMEN1
SCHEMBL15878149 0.66 POLB (0.57) POLBGAAALDH1A1KMT2AMEN1

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-2016109221-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 — — WO disclosed
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