SCHEMBL6996600

SCHEMBL6996600

CCC/C=C1\CCCc2oc(C(=O)OC)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 7/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 4/20 0.32
HSD17B10 Q99714 4/20 0.32
KDM4E B2RXH2 3/20 0.32
TSHR P16473 3/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NQO2 P16083 2/20 0.31
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL6996604 1.00 POLB (0.37) POLBNPC1RAB9AL3MBTL1MAPT
SCHEMBL6990774 0.87 POLB (0.51) POLBL3MBTL1MAPTKMT2AKDM4E
SCHEMBL6990772 0.87 POLB (0.51) POLBL3MBTL1MAPTKMT2AKDM4E
Hydrochloric Acid SCHEMBL7961122 0.80 POLB (0.32) POLB
Hydrochloric Acid SCHEMBL7961126 0.80 POLB (0.32) POLB
SCHEMBL4813079 0.76 ALDH1A1 (0.49) POLBNPC1RAB9AL3MBTL1MAPT
SCHEMBL6994987 0.73 KDM4E (0.42) POLBNPC1RAB9AL3MBTL1MAPT
SCHEMBL6994989 0.73 KDM4E (0.42) POLBNPC1RAB9AL3MBTL1MAPT
SCHEMBL3548365 0.71 NPC1 (0.46) POLBNPC1RAB9AL3MBTL1MAPT
SCHEMBL6989915 0.66 CYP19A1 (0.52) MAPTALDH1A1

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