SCHEMBL10668045

SCHEMBL10668045

CCN=C1SC(=CC(=O)O)C(=O)N1CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.52
▸ MAPT P10636 6/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ HPGD P15428 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ MEN1 O00255 8/20 0.48
▸ KMT2A Q03164 8/20 0.48
▸ S1PR4 O95977 3/20 0.48
▸ S1PR1 P21453 2/20 0.48
▸ S1PR5 Q9H228 2/20 0.48
▸ POLB P06746 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ LMNA P02545 3/20 0.47
▸ CFTR P13569 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 2/20 0.43

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
SCHEMBL10668039 1.00 ALDH1A1 (0.52) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL10669461 0.78 KDM4E (0.41) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL10669455 0.78 KDM4E (0.41) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL10667400 0.76 KDM4E (0.40) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL10667408 0.76 KDM4E (0.40) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL10665789 0.75 CDC25A (0.42) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL10664577 0.74 CDC25A (0.44) ALDH1A1MAPTHPGDS1PR1SMN1; SMN2
SCHEMBL10662819 0.74 CDC25A (0.44) ALDH1A1MAPTHPGDS1PR1SMN1; SMN2
SCHEMBL10661502 0.74 CDC25A (0.44) ALDH1A1MAPTHPGDS1PR1SMN1; SMN2
SCHEMBL10661496 0.74 CDC25A (0.44) ALDH1A1MAPTHPGDS1PR1SMN1; 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
US-4775677-A ANTIALLERGNES, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1988-10-04 — — US disclosed
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