SCHEMBL8030541

SCHEMBL8030541

CCOC(=O)CCCCC(NS(=O)(=O)c1ccc2c(c1)nc(Cc1ccc(C#N)cc1)n2C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
S1PR1 P21453 4/20 0.39
F2 P00734 2/20 0.38
RORC P51449 1/20 0.38
ACSL1 P33121 2/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CNR2 P34972 2/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 1/20 0.36
CNR1 P21554 1/20 0.35
PKM P14618 1/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL8015890 0.93 GAA (0.40) GAAS1PR1F2RORCACSL1
SCHEMBL8015915 0.93 GAA (0.39) GAAS1PR1F2RORCACSL1
SCHEMBL8028106 0.91 GAA (0.40) GAAS1PR1F2RORCACSL1
SCHEMBL8016341 0.89 GAA (0.41) GAAS1PR1F2RORCACSL1
SCHEMBL8030543 0.82 GAA (0.46) GAAACSL1TSHRNPSR1RXFP1
SCHEMBL8015892 0.82 GAA (0.51) GAATSHRNPSR1RXFP1CNR2
SCHEMBL8015916 0.81 GAA (0.51) GAATSHRNPSR1RXFP1CNR2
SCHEMBL8030569 0.81 F2 (0.43) GAAF2RORCACSL1TSHR
SCHEMBL8028112 0.81 GAA (0.52) GAAACSL1TSHRNPSR1RXFP1
SCHEMBL8026757 0.80 CNR2 (0.45) RORCACSL1CNR2ALDH1A1CNR1

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-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed