SCHEMBL6991846

SCHEMBL6991846

CCOC(=O)C=C1CCCc2sccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.40
TBXAS1 P24557 2/20 0.40
ESR2 Q92731 1/20 0.39
CTDSP1 Q9GZU7 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 3/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6991841 1.00 CYP19A1 (0.40) CYP19A1TBXAS1ESR2CTDSP1TDP1
SCHEMBL31660837 0.92 ESR2 (0.40) ESR2CTDSP1TDP1HSD17B10KDM4E
SCHEMBL13354813 0.81 CTDSP1 (0.45) ESR2CTDSP1HSD17B10KDM4EHPGD
SCHEMBL1193758 0.80 ALDH1A1 (0.40) CTDSP1HSD17B10KDM4EHPGDCASP1
SCHEMBL1193760 0.80 ALDH1A1 (0.40) CTDSP1HSD17B10KDM4EHPGDCASP1
SCHEMBL1193762 0.80 ALDH1A1 (0.40) CTDSP1HSD17B10KDM4EHPGDCASP1
SCHEMBL4097016 0.77 CYP19A1 (0.43) CYP19A1TBXAS1HPGDMAPTHTT
SCHEMBL6997598 0.76 HTT (0.44) CYP19A1TBXAS1KDM4EHPGDMAPT
SCHEMBL6997601 0.76 HTT (0.44) CYP19A1TBXAS1KDM4EHPGDMAPT
SCHEMBL7395451 0.76 RXRA (0.49) CYP19A1CTDSP1TDP1HSD17B10KDM4E

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