SCHEMBL21389225

SCHEMBL21389225

O=C(CSCC(=O)NC1CCCC1)NCCN1C(=O)CCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL24795907 0.97 HPGD (0.43) HPGDSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL24796282 0.96 HPGD (0.47) HPGDSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL24796631 0.94 HTT (0.44) HPGDSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL21389191 0.86 HPGD (0.44) HPGDSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL21389152 0.86 HPGD (0.41) HPGDSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL21389295 0.86 HPGD (0.41) HPGDSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL24796302 0.85 HPGD (0.44) HPGDSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL24796394 0.85 HPGD (0.41) HPGDSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL21389261 0.85 ATM (0.50) HPGDSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL24796138 0.84 HPGD (0.41) HPGDSMN1; SMN2LMNAKMT2AALDH1A1

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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