SCHEMBL6454601

SCHEMBL6454601

CC1CC(O)(c2csc(Sc3ccc4c(c3)CC(=O)N4C)c2)CCO1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.41
TRIM24 O15164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CREBBP Q92793 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
ATG7 O95352 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 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
SCHEMBL1445372 1.00 ALOX5 (0.41) ALOX5TRIM24ALDH1A1GAACREBBP
SCHEMBL7608078 1.00 ALOX5 (0.41) ALOX5TRIM24ALDH1A1GAACREBBP
SCHEMBL7607693 1.00 ALOX5 (0.41) ALOX5TRIM24ALDH1A1GAACREBBP
SCHEMBL1445371 1.00 ALOX5 (0.41) ALOX5TRIM24ALDH1A1GAACREBBP
SCHEMBL2109207 0.92 ALOX5 (0.49) ALOX5TRIM24
SCHEMBL8554998 0.87 ALOX5 (0.36) ALOX5
SCHEMBL2108067 0.87 CREBBP (0.36) ALOX5TRIM24ALDH1A1GAACREBBP
SCHEMBL8556070 0.85 ALOX5 (0.38) ALOX5
SCHEMBL9160052 0.83 ALOX5 (0.35) ALOX5TRIM24ALDH1A1GAACREBBP
SCHEMBL2108607 0.80 ALOX5 (0.44) ALOX5TRIM24ALDH1A1GAACREBBP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222193-A1 Novel combination for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-10-06 US disclosed
WO-2005074932-A1 THE USE OF (S) - PANTOPRAZOLE MAGNESIUM FOR THE TREATMENT OF AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2005-08-18 WO disclosed
US-20050165041-A1 Combination for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-07-28 US disclosed