SCHEMBL7328828

SCHEMBL7328828

NC(=S)Nc1ccc(CCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
FFAR1 O14842 9/20 0.53
FFAR4 Q5NUL3 2/20 0.53
NR1H4 Q96RI1 1/20 0.52
ITGB3 P05106 1/20 0.51
ITGB1 P05556 1/20 0.51
ITGAV P06756 1/20 0.51
ITGA2B P08514 1/20 0.51
ITGB5 P18084 1/20 0.51
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
TYR P14679 1/20 0.50
TSHR P16473 1/20 0.50
TAS2R38 P59533 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KEAP1 Q14145 1/20 0.50
EPHX2 P34913 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49

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
SCHEMBL7688792 0.88 ALDH1A1 (0.47) POLBFFAR1ALDH1A1TP53TYR
SCHEMBL4109710 0.83 FFAR1 (0.53) POLBFFAR1FFAR4NR1H4ITGB3
SCHEMBL4529320 0.82 MEN1 (0.57) POLBFFAR1NR1H4ALDH1A1TP53
SCHEMBL4512426 0.82 EPHX2 (0.52) ALDH1A1EPHX2
SCHEMBL7479986 0.82 FFAR1 (0.60) POLBFFAR1FFAR4NR1H4ALDH1A1
SCHEMBL659263 0.79 NR1H4 (0.59) FFAR1FFAR4NR1H4ALDH1A1TSHR
SCHEMBL1893556 0.78 ALDH1A1 (0.52) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL3131825 0.78 FFAR1 (0.59) FFAR1FFAR4NR1H4ALDH1A1KEAP1
SCHEMBL16573285 0.78 ALDH1A1 (0.48) POLBFFAR1NR1H4ALDH1A1TAS2R38
SCHEMBL5652618 0.77 FFAR1 (0.63) FFAR1FFAR4NR1H4ALDH1A1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103097367-B Phenylpropionic acid compound, preparation method therefor and medicinal use thereof INST PHARM & TOXICOLOGY AMMS 2014-12-03 CN disclosed
CN-103097367-A Phenylpropionic acid compound, preparation method therefor and medicinal use thereof INST PHARM & TOXICOLOGY AMMS 2013-05-08 CN disclosed
EP-0781280-B1 DERIVATIVES OF BENZOPYRAN AND OF BENZOTHIOPYRAN, THEIR PREPARATION AND THEIR USE AS AGONISTS OF DOPAMINERGIC RECEPTORS ZAMBON SPA (IT) 2002-11-06 EP disclosed
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
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
EP-0781280-A1 DERIVATIVES OF BENZOPYRAN AND OF BENZOTHIOPYRAN, THEIR PREPARATION AND THEIR USE AS AGONISTS OF DOPAMINERGIC RECEPTORS ZAMBON GROUP S.p.A. (IT) 1997-07-02 EP disclosed
WO-1996008489-A1 DERIVATIVES OF BENZOPYRAN AND OF BENZOTHIOPYRAN, THEIR PREPARATION AND THEIR USE AS AGONISTS OF DOPAMINERGIC RECEPTORS ZAMBON GROUP S.P.A. (IT) 1996-03-21 WO 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