SCHEMBL21389368

SCHEMBL21389368

CO[C@H]1CC(=O)N(CCNC(=O)CSCC(=O)NCC2CCC2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL24796402 0.86 CYP1A2 (0.38) CYP1A2CYP3A4KMT2AALDH1A1KDM4E
SCHEMBL24796658 0.86 CYP1A2 (0.38) CYP1A2CYP3A4KMT2AALDH1A1KDM4E
SCHEMBL26746510 0.85 HPGD (0.32) KMT2AHPGDALDH1A1POLBL3MBTL1
SCHEMBL24796018 0.85 MAPT (0.33) KMT2AHPGDALDH1A1POLBL3MBTL1
SCHEMBL21389301 0.85 FABP3 (0.34) KMT2AHPGDALDH1A1L3MBTL1NPSR1
SCHEMBL26634663 0.85 FABP3 (0.34) KMT2AHPGDALDH1A1L3MBTL1NPSR1
SCHEMBL21383821 0.85 FABP3 (0.34) KMT2AHPGDALDH1A1L3MBTL1NPSR1
SCHEMBL26746501 0.85 HPGD (0.32) KMT2AHPGDALDH1A1POLBL3MBTL1
SCHEMBL24796413 0.85 HPGD (0.40) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL24796027 0.84 CYP1A2 (0.36) CYP1A2CYP3A4KMT2AALDH1A1L3MBTL1

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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