SCHEMBL8570842

SCHEMBL8570842

CNC(=O)CCCc1sccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RIPK1 Q13546 1/20 0.41
GAA P10253 1/20 0.41
GSK3B P49841 1/20 0.40
POLB P06746 1/20 0.39
MTNR1A P48039 2/20 0.39
PKM P14618 1/20 0.38
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MPO P05164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KDM6B O15054 1/20 0.37
KDM4A O75164 1/20 0.37
KDM5C P41229 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL8572643 0.81 ALOX5 (0.58) ALOX5MEN1KMT2ARIPK1GSK3B
SCHEMBL6809052 0.81 LTB4R (0.50) ALOX5MEN1KMT2ARIPK1GSK3B
SCHEMBL8573120 0.80 ALOX5 (0.47) ALOX5RIPK1GAAGSK3BPOLB
SCHEMBL1176720 0.77 LTB4R (0.56) ALOX5RIPK1GSK3BPOLBALDH1A1
SCHEMBL5288668 0.74 FFAR1 (0.51) ALOX5RIPK1GSK3BHSD11B1ALDH1A1
SCHEMBL5481203 0.73 ALDH1A1 (0.49) ALOX5MEN1KMT2ARIPK1GSK3B
SCHEMBL8352676 0.72 USP2 (0.57) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL8815622 0.71 ALOX5 (0.44) ALOX5MEN1KMT2ARIPK1GAA
SCHEMBL6296480 0.70 ALOX5 (0.45) ALOX5MEN1KMT2ARIPK1GAA
SCHEMBL6617196 0.70 ALOX5 (0.43) ALOX5MEN1KMT2ARIPK1GSK3B

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-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
US-5780473-A Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-14 US claimed
US-5780473-A Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-14 US disclosed