SCHEMBL6994087

SCHEMBL6994087

COc1ccc(CCOS(=O)(=O)c2ccc(C)cc2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 1/20 0.48
ALDH1A1 P00352 5/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
HTT P42858 2/20 0.47
PTGER1 P34995 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
THRB P10828 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL7320143 0.92 LMNA (0.51) LMNASMN1; SMN2POLBALDH1A1CA12
SCHEMBL2352786 0.89 PTGS1 (0.49) LMNASMN1; SMN2POLBALDH1A1PTGER1
SCHEMBL11279927 0.88 CA12 (0.45) LMNASMN1; SMN2POLBALDH1A1CA12
SCHEMBL6812749 0.87 EDNRB (0.47) LMNASMN1; SMN2POLBALDH1A1PTGER1
SCHEMBL6961713 0.86 HPGD (0.45) LMNASMN1; SMN2ALDH1A1HTTPTGER1
SCHEMBL6814867 0.84 ALDH1A1 (0.49) LMNASMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL2881816 0.84 LMNA (0.43) LMNASMN1; SMN2POLBALDH1A1HTT
SCHEMBL18289524 0.83 CA1 (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL6906905 0.83 CA1 (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL457964 0.83 LMNA (0.44) LMNASMN1; SMN2POLBALDH1A1HTT

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
EP-0927177-B1 NOVEL BENZOTHIOPHENE DERIVATIVES, THEIR PREPARATION AND USE AS UROKINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-26 EP disclosed
US-6274619-B1 FUSED AMIDINO TYPE COMPOUNDS SUCH AS 4-(N-BUTYLCARBAMOYLMETHYLIDENE)-2-AMIDINO-4,5,6,7-TETRAHYDROBE NZO(B)THIOPHENE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-14 US disclosed
US-6093710-A AN ENZYME INHIBITOR TREATING ANGIOGENESIS, ARTHRITIS, INFLAMMATION, METASTASIS, OSTEOPOROSIS, TUMORSANGIOGENESIS-DEPENDENT RETINOPATHIES, CONTRACEPTIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-25 US disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
US-4977144-A ADENOSINE AGONISTS CIBA-GEIGY CORPORATION (US) 1990-12-11 US disclosed
EP-0354180-A2 Certain imidazo[4,5-b]pyridine derivatives CIBA-GEIGY AG (CH) 1990-02-07 EP disclosed
EP-0034894-B1 2-(1-PIPERAZINYL)-2,4,6-CYCLOHEPTATRIEN-1-ONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES USED IN THE PROCESSES AND THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE DERIVATIVES AYERST, MCKENNA AND HARRISON INC. (CA) 1984-09-12 EP disclosed
US-4469693-A 2-(4-Substituted alkyl-1-piperazinyl)-2,4,6-cycloheptatrien-1-one derivatives AYERST, MCKENNA & HARRISON INC. (CA) 1984-09-04 US disclosed
EP-0034894-A2 2-(1-Piperazinyl)-2,4,6-cycloheptatrien-1-one derivatives, processes for their preparation, intermediates used in the processes and the preparation thereof and pharmaceutical compositions containing the derivatives AYERST, MCKENNA AND HARRISON INC. (CA) 1981-09-02 EP disclosed