SCHEMBL7108128

SCHEMBL7108128

[c]1c(P(C2CCCCC2)C2CCCCC2)sc2ccccc12

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TXN P10599 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL16892788 0.66 ROCK2 (0.31)
SCHEMBL1315359 0.64 ROCK2 (0.35) ALDH1A1HPGD
SCHEMBL4968876 0.63
SCHEMBL54719 0.63 ROCK2 (0.44) ALDH1A1HPGDTDP1
SCHEMBL301129 0.63 ROCK2 (0.44) ALDH1A1HPGDTDP1
SCHEMBL301161 0.63 ROCK2 (0.44) ALDH1A1HPGDTDP1
SCHEMBL1314189 0.62 ROCK2 (0.33) ALDH1A1
SCHEMBL9634618 0.61 ROCK2 (0.43) ALDH1A1HPGDTDP1
SCHEMBL2271458 0.61 ROCK2 (0.43) ALDH1A1HPGDTDP1
SCHEMBL9516193 0.61 ROCK2 (0.43) ALDH1A1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070075-B1 CHIRAL PHOSPHORATED LIGANDS USEFUL IN CATALYSTS CHEMI SPA (IT) 2003-10-08 EP claimed
EP-1070075-A1 CHIRAL PHOSPHORATED LIGANDS USEFUL IN CATALYSTS CHEMI S.p.A. (IT) 2001-01-24 EP claimed
WO-1999052915-A1 CHIRAL PHOSPHORATED LIGANDS USEFUL IN CATALYSTS CHEMI S.P.A. (IT) 1999-10-21 WO claimed
EP-1070075-B1 CHIRAL PHOSPHORATED LIGANDS USEFUL IN CATALYSTS CHEMI SPA (IT) 2003-10-08 EP disclosed
EP-1070075-A1 CHIRAL PHOSPHORATED LIGANDS USEFUL IN CATALYSTS CHEMI S.p.A. (IT) 2001-01-24 EP disclosed
WO-1999052915-A1 CHIRAL PHOSPHORATED LIGANDS USEFUL IN CATALYSTS CHEMI S.P.A. (IT) 1999-10-21 WO disclosed