SCHEMBL7594276

SCHEMBL7594276

C=C(CSc1ccccc1OC)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 4/20 0.42
PTGS2 P35354 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 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
SCHEMBL7595096 0.87 KDM4E (0.47) MTNR1AMTNR1BSMN1; SMN2ALDH1A1KDM4E
SCHEMBL7419329 0.83 MTNR1A (0.56) MTNR1AMTNR1BSMN1; SMN2POLBPTGS2
SCHEMBL806075 0.80 MTNR1A (0.60) MTNR1AMTNR1BSMN1; SMN2POLBPTGS2
SCHEMBL7417947 0.79 MTNR1A (0.55) MTNR1AMTNR1BSMN1; SMN2POLBPTGS2
SCHEMBL7422929 0.75 GLA (0.56) MTNR1AMTNR1BPOLBALDH1A1KDM4E
SCHEMBL11869892 0.75 MTNR1A (0.55) MTNR1AMTNR1BSMN1; SMN2POLBALDH1A1
SCHEMBL7751 0.74 MTNR1A (0.61) MTNR1AMTNR1BSMN1; SMN2POLBPTGS2
SCHEMBL29515347 0.74 MTNR1A (0.61) MTNR1AMTNR1BSMN1; SMN2POLBPTGS2
SCHEMBL19403380 0.74 MTNR1A (0.50) MTNR1AMTNR1BSMN1; SMN2POLBPTGS2
SCHEMBL7769539 0.73 NPC1 (0.71) SMN1; SMN2POLBALDH1A1KDM4ELMNA

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 9 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-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
EP-0161218-B1 BENZO-(PYRANO AND THIOPYRANO)PYRIDINES CIBA-GEIGY AG (CH) 1991-06-26 EP disclosed
US-4992465-A Antidepressant, anxiolytic agents; treating central nervous system disorders CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
US-4801605-A ANTIDEPRESSANT, NERVOUS SYSTEM DISORDERS, SEROTONIC ANTAGONIST CIBA-GEIGY CORPORATION (US) 1989-01-31 US disclosed
US-4721787-A CONDENSATION, REDUCTION, DEHYDRATION CIBA-GEIGY CORPORATION (US) 1988-01-26 US disclosed
US-4604397-A Certain benzo-(pyrano and thiopyrano)-pyridines, useful as CNS agents CIBA-GEIGY CORPORATION (US) 1986-08-05 US disclosed
EP-0161218-A2 Benzo-(pyrano and thiopyrano)pyridines CIBA-GEIGY AG (CH) 1985-11-13 EP disclosed