SCHEMBL9160052

SCHEMBL9160052

C[C@H]1C[C@@](O)(c2ccsc2Sc2ccc3c(c2)CC(=O)N3C)CCO1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.35
TRIM24 O15164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CREBBP Q92793 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
CTSC P53634 1/20 0.32
SMYD3 Q9H7B4 1/20 0.31
ATG7 O95352 1/20 0.31
ACVRL1 P37023 1/20 0.30
ACVR1 Q04771 1/20 0.30

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
SCHEMBL7607693 0.83 ALOX5 (0.41) ALOX5TRIM24ALDH1A1GAACREBBP
SCHEMBL1445372 0.83 ALOX5 (0.41) ALOX5TRIM24ALDH1A1GAACREBBP
SCHEMBL6454601 0.83 ALOX5 (0.41) ALOX5TRIM24ALDH1A1GAACREBBP
SCHEMBL7608078 0.83 ALOX5 (0.41) ALOX5TRIM24ALDH1A1GAACREBBP
SCHEMBL1445371 0.83 ALOX5 (0.41) ALOX5TRIM24ALDH1A1GAACREBBP
SCHEMBL2108067 0.81 CREBBP (0.36) ALOX5TRIM24ALDH1A1GAACREBBP
SCHEMBL2108607 0.79 ALOX5 (0.44) ALOX5TRIM24ALDH1A1GAACREBBP
SCHEMBL2109207 0.75 ALOX5 (0.49) ALOX5TRIM24
SCHEMBL2107548 0.73 ALOX5 (0.43) ALOX5TRIM24
SCHEMBL8558044 0.73 ALOX5 (0.48) ALOX5TRIM24CREBBP

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-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US disclosed