SCHEMBL6987113

SCHEMBL6987113

CCOC(=O)C1CCc2cc(C=O)sc2C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.49
LIMK1 P53667 1/20 0.46
LGMN Q99538 2/20 0.40
MKNK1 Q9BUB5 1/20 0.38
TBXAS1 P24557 2/20 0.38
P2RX3 P56373 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL9837204 0.87 TBXAS1 (0.38) PDK1LIMK1TBXAS1ALDH1A1KMT2A
SCHEMBL6992002 0.79 PDK1 (0.48) PDK1LIMK1LGMNMKNK1P2RX3
Hydrochloric Acid SCHEMBL6998122 0.78 PDK1 (0.47) PDK1LIMK1LGMNMKNK1P2RX3
Hydrochloric Acid SCHEMBL6998111 0.77 PDK1 (0.46) PDK1LIMK1LGMNMKNK1KDM4E
SCHEMBL6989315 0.75 PDK1 (0.51) PDK1LIMK1LGMNKDM4EALDH1A1
SCHEMBL10680765 0.73 NPC1 (0.41) PDK1LIMK1LGMNKDM4EALDH1A1
SCHEMBL22070912 0.73 NPC1 (0.41) PDK1LIMK1LGMNKDM4EALDH1A1
SCHEMBL16038585 0.73 GRM5 (0.43) KDM4EALDH1A1GAAMAPTTSHR
SCHEMBL17385025 0.70 PDK1 (0.73) PDK1LIMK1MKNK1P2RX3KDM4E
SCHEMBL3630406 0.70 KDM4E (0.50) PDK1KDM4EALDH1A1KMT2AMEN1

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 3 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