SCHEMBL21389152

SCHEMBL21389152

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ USP2 O75604 1/20 0.36

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
SCHEMBL21389295 1.00 HPGD (0.41) HPGDKMT2ASMN1; SMN2LMNAPOLB
SCHEMBL24796656 0.98 HPGD (0.39) HPGDKMT2ASMN1; SMN2LMNAPOLB
SCHEMBL24796005 0.95 L3MBTL1 (0.39) HPGDKMT2ASMN1; SMN2LMNAPOLB
SCHEMBL24796657 0.95 L3MBTL1 (0.39) HPGDKMT2ASMN1; SMN2LMNAPOLB
SCHEMBL21389270 0.87 HPGD (0.44) HPGDKMT2ASMN1; SMN2LMNAPOLB
SCHEMBL24796282 0.87 HPGD (0.47) HPGDKMT2ASMN1; SMN2LMNAPOLB
SCHEMBL24796616 0.86 USP2 (0.39) HPGDKMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL21389225 0.86 HPGD (0.46) HPGDKMT2ASMN1; SMN2LMNAPOLB
SCHEMBL24796401 0.85 HPGD (0.41) HPGDKMT2ASMN1; SMN2LMNAPOLB
SCHEMBL24796403 0.85 L3MBTL1 (0.40) HPGDKMT2ASMN1; SMN2LMNAPOLB

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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