SCHEMBL20192242

SCHEMBL20192242

CC(C)CC(=O)N1CCC(C(=O)C(C)CCC(C)C(=O)N2CCC(C(=O)C(C)C)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.44
▸ POLB P06746 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL16643863 0.87 PTPN1 (0.54) PTPN1POLBNPSR1L3MBTL1KDM4E
SCHEMBL20997581 0.77 ALDH1A1 (0.44) PTPN1POLBNPSR1L3MBTL1KDM4E
SCHEMBL21677057 0.76 POLB (0.42) PTPN1POLBNPSR1L3MBTL1KDM4E
SCHEMBL16643864 0.74 MEN1 (0.50) L3MBTL1CYP2C19EPHX2SMN1; SMN2ALDH1A1
SCHEMBL25631005 0.73 KDM4E (0.52) PTPN1POLBNPSR1L3MBTL1KDM4E
SCHEMBL25631004 0.73 KDM4E (0.52) PTPN1POLBNPSR1L3MBTL1KDM4E
SCHEMBL23185467 0.73 EPHX2 (0.46) EPHX2ALDH1A1
SCHEMBL4145613 0.73 PTPN1 (0.55) PTPN1POLBNPSR1L3MBTL1KDM4E
SCHEMBL12197944 0.72 ALDH1A1 (0.60) PTPN1POLBNPSR1L3MBTL1KDM4E
SCHEMBL19116660 0.71 TDP1 (0.59) PTPN1POLBNPSR1L3MBTL1KDM4E

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-9981046-B2 Drug-conjugates, conjugation methods, and uses thereof Concortis Biosystems, Corp., a wholly owned Subsidiary of Sorrento Therapeutics, Inc. (US) 2018-05-29 — — US disclosed
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