SCHEMBL7423596

SCHEMBL7423596

CCOC(=O)CCSc1ccccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
POLB P06746 3/20 0.49
KDM4E B2RXH2 1/20 0.49
PTGS2 P35354 8/20 0.49
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
GLA P06280 1/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45

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
SCHEMBL7422929 0.85 GLA (0.56) MTNR1AMTNR1BPOLBKDM4EMAPT
SCHEMBL13948871 0.83 MAPT (0.54) POLBKDM4EPTGS2MAPTKMT2A
SCHEMBL29515347 0.81 MTNR1A (0.61) MTNR1AMTNR1BPOLBPTGS2ALDH1A1
SCHEMBL7751 0.81 MTNR1A (0.61) MTNR1AMTNR1BPOLBPTGS2ALDH1A1
SCHEMBL28446155 0.81 ALDH1A1 (0.58) POLBKDM4EMAPTKMT2AGLA
SCHEMBL15915950 0.81 POLB (0.50) POLBKDM4EMAPTKMT2AGLA
SCHEMBL72974 0.80 HSD17B10 (0.50) MTNR1AMTNR1BPOLBKDM4EPTGS2
SCHEMBL4841613 0.79 CYP4F2 (0.50) POLBKDM4EMAPTKMT2AGLA
SCHEMBL4840587 0.79 CYP4F2 (0.61) POLBKDM4EMAPTKMT2AGLA
SCHEMBL10382679 0.79 TSHR (0.57) POLBKDM4EMAPTKMT2AALDH1A1

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
US-6080768-A USEFUL IN THE TREATMENT OF ARTERIAL HYPERTENSION AND HEART FAILURE, RENAL INSUFFICIENCY, PERIPHERAL ARTERIOPATHIES AND CEREBROVASCULAR INSUFFICIENCIES ZAMBON GROUP S.P.A. (IT) 2000-06-27 US disclosed
US-5747513-A HYPOTENSIVE AGENTS, HEART FAILURE AND CEREBROVASCULAR INSUFFICIENCY ZAMBON GROUP, S.P.A. (IT) 1998-05-05 US disclosed
EP-0719252-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 1998-02-18 EP disclosed
WO-1995007885-A1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1995-03-23 WO disclosed