SCHEMBL21389270

SCHEMBL21389270

C[C@@H]1C[C@H](C)C(=O)N(CCNC(=O)CSCC(=O)NC2CCCC2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ POLB P06746 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ USP2 O75604 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
SCHEMBL24796401 0.98 HPGD (0.41) HPGDKMT2ASMN1; SMN2LMNAATM
SCHEMBL21389295 0.87 HPGD (0.41) HPGDKMT2ASMN1; SMN2LMNAATM
SCHEMBL21389152 0.87 HPGD (0.41) HPGDKMT2ASMN1; SMN2LMNAATM
SCHEMBL21389261 0.86 ATM (0.50) HPGDKMT2ASMN1; SMN2LMNAATM
SCHEMBL24796295 0.85 ATM (0.49) HPGDKMT2ASMN1; SMN2LMNAATM
SCHEMBL24796649 0.85 ATM (0.46) HPGDKMT2ASMN1; SMN2LMNAATM
SCHEMBL24796656 0.85 HPGD (0.39) HPGDKMT2ASMN1; SMN2LMNAATM
SCHEMBL24796661 0.85 HPGD (0.43) HPGDKMT2ASMN1; SMN2LMNAATM
SCHEMBL24795885 0.84 USP2 (0.39) KMT2ASMN1; SMN2ALDH1A1L3MBTL1GAA
SCHEMBL21389158 0.84 USP2 (0.39) KMT2ASMN1; SMN2ALDH1A1L3MBTL1GAA

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-2019183577-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. (US) 2019-09-26 — — WO disclosed
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