SCHEMBL7310001

SCHEMBL7310001

C=CCOc1ccc(-c2ccc(C(=O)OCC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
MAPT P10636 2/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ADRB2 P07550 1/20 0.55
ADRB1 P08588 1/20 0.55
ADRB3 P13945 1/20 0.55
KCNH2 Q12809 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ESR1 P03372 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
ESR2 Q92731 1/20 0.50
CA14 Q9ULX7 1/20 0.50

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
SCHEMBL1515794 0.95 MAPT (0.59) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL5204910 0.91 MAPT (0.56) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL9288915 0.89 ADRB2 (0.55) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL9879895 0.86 NPC1 (0.48) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL7323803 0.85 MAPT (0.60) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL19892096 0.84 ADRB2 (0.59) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL11048573 0.82 CA1 (0.61) NPC1MAPTRAB9ASMN1; SMN2TDP1
SCHEMBL10453834 0.82 ADRB2 (0.45) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL12926339 0.82 L3MBTL1 (0.56) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL5983931 0.82 TDP1 (0.56) MAPTKCNH2HRH3TDP1L3MBTL1

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
JP-2200677-A None JP disclosed
JP-2196756-A None JP disclosed
JP-2212463-A None JP disclosed
EP-0805813-B1 TRICYCLIC VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID CO (US) 2002-05-15 EP disclosed
US-5780471-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-07-14 US disclosed
US-5521173-A TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-28 US disclosed
JP-H02212463-A ALLYLBIPHENYLCARBOXYLIC ACID DERIVATIVE LIQUID CRYSTAL CHISSO CORP 1990-08-23 JP disclosed
JP-H02200677-A ESTER DERIVATIVE OF ALLYLBIPHENYLCARBOXYLIC ACID WITH FLUOROPYRIMIDINYLPHENOLS CHISSO CORP 1990-08-08 JP disclosed
JP-H02196756-A HALOGENOPHENYL ALLYLBIPHENYLCARBOXYLATES CHISSO CORP 1990-08-03 JP disclosed