SCHEMBL24373554

SCHEMBL24373554

C=C(C)C1CCN(C(=O)CC(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.52
▸ POLB P06746 4/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ATM Q13315 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MDM2 Q00987 1/20 0.38

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
SCHEMBL19841676 0.86 PTPN1 (0.52) PTPN1POLBNPSR1L3MBTL1KDM4E
SCHEMBL20988847 0.84 PTPN1 (0.39) PTPN1KDM4ECYP2C9CYP2C19ALDH1A1
SCHEMBL4145613 0.82 PTPN1 (0.55) PTPN1POLBNPSR1L3MBTL1KDM4E
SCHEMBL16643863 0.81 PTPN1 (0.54) PTPN1POLBNPSR1L3MBTL1KDM4E
SCHEMBL19116660 0.81 TDP1 (0.59) PTPN1POLBNPSR1L3MBTL1KDM4E
SCHEMBL22657559 0.80 PTPN1 (0.56) PTPN1POLBNPSR1L3MBTL1KDM4E
SCHEMBL26997899 0.80 PTPN1 (0.47) PTPN1POLBNPSR1L3MBTL1KDM4E
SCHEMBL12197944 0.78 ALDH1A1 (0.60) PTPN1POLBNPSR1L3MBTL1KDM4E
SCHEMBL12932588 0.78 POLB (0.53) PTPN1POLBNPSR1L3MBTL1KDM4E
SCHEMBL22434895 0.77 POLB (0.70) POLBNPSR1L3MBTL1ALDH1A1SMN1; SMN2

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-2022087216-A1 DOUBLE DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-04-28 — — WO disclosed
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