SCHEMBL7340358

SCHEMBL7340358

COc1nc2ccc(CCC(=O)O)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
PPARD Q03181 2/20 0.45
HDAC6 Q9UBN7 2/20 0.44
STING1 Q86WV6 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MITF O75030 1/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LDHA P00338 2/20 0.42
CSNK1D P48730 1/20 0.42
FFAR1 O14842 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL2707387 0.82 LDHA (0.60) MAPTPPARDHDAC6NPC1RAB9A
SCHEMBL7339194 0.80 KDM4E (0.46) MAPTGAANPC1RAB9AAPEX1
SCHEMBL7340444 0.79 HDAC6 (0.51) PPARDHDAC6NPC1RAB9AMITF
SCHEMBL73742 0.79 RAB9A (0.59) MAPTGAAHDAC6NPC1RAB9A
SCHEMBL7596848 0.78 POLB (0.44) NPC1RAB9AMITFPOLBAPEX1
SCHEMBL13510374 0.78 SMN1; SMN2 (0.61) MAPTNPC1RAB9ACSNK1DL3MBTL1
SCHEMBL18580758 0.75 PPARD (0.57) GAAPPARDHDAC6LDHAFFAR1
SCHEMBL24332388 0.74 HDAC6 (0.64) MAPTGAAHDAC6NPC1RAB9A
SCHEMBL2706783 0.74 LDHA (0.57) MAPTPPARDNPC1RAB9AMITF
SCHEMBL27917772 0.73 LDHA (0.56) MAPTPPARDNPC1RAB9AMITF

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-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