SCHEMBL7340100

SCHEMBL7340100

CS(=O)(=O)c1ccc(OCC(=O)NCCCCCC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.63
ITGA2B P08514 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.52
PKM P14618 2/20 0.52
TSHR P16473 1/20 0.49
RECQL P46063 1/20 0.49
ALDH1A1 P00352 7/20 0.47
HTT P42858 1/20 0.46
HDAC1 Q13547 1/20 0.46
GRIN1 Q05586 2/20 0.45
GRIN2B Q13224 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.44
SGMS1 Q86VZ5 1/20 0.44

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
SCHEMBL5654598 0.83 ITGB3 (0.70) ITGB3ITGA2BTSHRRECQLCYP1A2
SCHEMBL5762931 0.83 ITGB3 (0.70) ITGB3ITGA2BTSHRRECQLCYP1A2
SCHEMBL24969524 0.82 ITGB3 (0.73) ITGB3ITGA2BSMN1; SMN2TSHRRECQL
SCHEMBL7008724 0.81 ATM (0.58) TSHRALDH1A1GAA
SCHEMBL7338930 0.80 ITGB3 (0.63) ITGB3ITGA2BPKMALDH1A1HDAC1
SCHEMBL13177405 0.80 PPARA (0.56) ALDH1A1HDAC1GAA
SCHEMBL7332407 0.79 ITGB3 (0.65) ITGB3ITGA2BTSHRRECQLHTT
SCHEMBL5360419 0.78 SMN1; SMN2 (0.50) ITGB3ITGA2BSMN1; SMN2PKMTSHR
SCHEMBL9510520 0.78 ALDH1A1 (0.50) ITGB3ITGA2BSMN1; SMN2PKMALDH1A1
SCHEMBL7373683 0.77 RECQL (0.63) ITGB3ITGA2BTSHRRECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781126-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 2001-12-12 EP disclosed
US-5674909-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS ZAMBON GROUP (IT) 1997-10-07 US disclosed
EP-0781126-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1997-07-02 EP disclosed
WO-1996008228-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1996-03-21 WO disclosed