SCHEMBL6992144

SCHEMBL6992144

CCCC=C1CCCCc2sccc21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.48
TBXAS1 P24557 2/20 0.48
USP2 O75604 1/20 0.41
NOS2 P35228 1/20 0.32

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
SCHEMBL6992142 1.00 CYP19A1 (0.48) CYP19A1TBXAS1USP2NOS2
SCHEMBL6997324 0.97 CYP19A1 (0.51) CYP19A1TBXAS1USP2NOS2
SCHEMBL6997321 0.97 CYP19A1 (0.51) CYP19A1TBXAS1USP2NOS2
SCHEMBL6994809 0.70 PNMT (0.33)
SCHEMBL6994819 0.70 PNMT (0.33)
SCHEMBL4108673 0.70 CYP19A1 (0.58) CYP19A1TBXAS1USP2
SCHEMBL4108664 0.70 CYP19A1 (0.58) CYP19A1TBXAS1USP2
SCHEMBL6997398 0.69 ALDH1A1 (0.48)
SCHEMBL6997401 0.69 ALDH1A1 (0.48)
SCHEMBL4115649 0.69 CYP19A1 (0.43) CYP19A1TBXAS1USP2NOS2

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