SCHEMBL7590712

SCHEMBL7590712

COc1ccc2c(c1)SCC(C(=O)O)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
RYR2 Q92736 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ACHE P22303 1/20 0.39
HSD17B3 P37058 1/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL9213535 0.89 RYR2 (0.49) SMN1; SMN2GAARYR2
SCHEMBL9824427 0.81 CA1 (0.40) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL10225789 0.79 MTNR1A (0.51) GAACA1CA2MTNR1AMTNR1B
SCHEMBL345517 0.74 CA1 (0.56) GAACA1CA2MTNR1AMTNR1B
SCHEMBL345881 0.74 MTNR1A (0.60) GAACA1CA2MTNR1AMTNR1B
SCHEMBL345882 0.74 MTNR1A (0.60) GAACA1CA2MTNR1AMTNR1B
SCHEMBL8603749 0.74 CA1 (0.56) GAACA1CA2MTNR1AMTNR1B
SCHEMBL8074259 0.74 CA1 (0.56) GAACA1CA2MTNR1AMTNR1B
SCHEMBL8603880 0.74 MTNR1A (0.60) GAACA1CA2MTNR1AMTNR1B
SCHEMBL6404425 0.73 RYR2 (0.41) SMN1; SMN2GAARYR2ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6368573-B1 MEASURING MYOCARDIAL FUNCTION IN MAMMAL KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2002-04-09 US disclosed
US-5063233-A Cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1991-11-05 US disclosed
US-5034381-A Antagonist CIBA-GEIGY CORPORATION (US) 1991-07-23 US disclosed
US-4992465-A Antidepressant, anxiolytic agents; treating central nervous system disorders CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
US-4968697-A ADENOSINE-2 RECEPTOR AGONISTS CIBA-GEIGY CORPORATION (US) 1990-11-06 US disclosed
US-4954504-A Hypotensive agents, psychotic disorders CIBA-GEIGY CORPORATION (US) 1990-09-04 US disclosed
EP-0323807-A2 Certain 2-substituted adenosine derivatives CIBA-GEIGY AG (CH) 1989-07-12 EP disclosed
US-4801605-A ANTIDEPRESSANT, NERVOUS SYSTEM DISORDERS, SEROTONIC ANTAGONIST CIBA-GEIGY CORPORATION (US) 1989-01-31 US disclosed
EP-0277917-A2 Certain adenosine 5'-carboxamide derivatives CIBA-GEIGY AG (CH) 1988-08-10 EP disclosed
EP-0267878-A1 N9-cyclopentyl-substituted adenine derivatives CIBA-GEIGY AG (CH) 1988-05-18 EP disclosed