SCHEMBL6989917

SCHEMBL6989917

CCCC=C1CCCc2occc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.52
TBXAS1 P24557 2/20 0.52
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
TRPA1 O75762 1/20 0.32
ABCB1 P08183 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
SCHEMBL6989915 1.00 CYP19A1 (0.52) CYP19A1TBXAS1ALDH1A1CYP2C19MAPT
SCHEMBL7915161 0.71 MAPT (0.41) CYP19A1TBXAS1ALDH1A1CYP2C19MAPT
SCHEMBL6997324 0.69 CYP19A1 (0.51) CYP19A1TBXAS1ABCB1
SCHEMBL6997321 0.69 CYP19A1 (0.51) CYP19A1TBXAS1ABCB1
SCHEMBL6990774 0.68 POLB (0.51) MAPT
SCHEMBL6990772 0.68 POLB (0.51) MAPT
SCHEMBL10737938 0.67 CYP1A2 (0.39) ALDH1A1CYP2C19MAPTTRPA1
SCHEMBL6996604 0.66 POLB (0.37) ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7961126 0.66 POLB (0.32)
SCHEMBL6996600 0.66 POLB (0.37) ALDH1A1MAPT

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