SCHEMBL4607313

SCHEMBL4607313

CC(=O)Oc1ccc(-c2cccc(OC(C)=O)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.71
GAA P10253 1/20 0.71
MAPT P10636 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
CYP3A4 P08684 1/20 0.59
HSD17B10 Q99714 1/20 0.58
HPGD P15428 1/20 0.57
POLB P06746 1/20 0.57
GFER P55789 1/20 0.55
ACHE P22303 1/20 0.54
GAPDH P04406 1/20 0.54
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
ELANE P08246 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL28032593 0.94 LMNA (0.66) LMNAGAAMAPTTDP1CYP3A4
SCHEMBL8469858 0.91 LMNA (0.60) LMNAGAAMAPTTDP1CYP3A4
SCHEMBL8469479 0.91 LMNA (0.65) LMNAGAAMAPTTDP1HSD17B10
SCHEMBL4446422 0.91 MAPT (0.67) LMNAGAAMAPTTDP1CYP3A4
SCHEMBL4960001 0.90 LMNA (0.71) LMNAGAAMAPTTDP1CYP3A4
SCHEMBL8523753 0.89 CYP3A4 (0.66) LMNAGAAMAPTTDP1CYP3A4
SCHEMBL28743154 0.89 LMNA (0.66) LMNAGAAMAPTTDP1CYP3A4
SCHEMBL3781402 0.88 LMNA (0.56) LMNAGAAMAPTTDP1CYP3A4
SCHEMBL4436159 0.87 LMNA (0.58) LMNAGAAMAPTTDP1HPGD
SCHEMBL23734827 0.86 LMNA (0.67) LMNAGAAMAPTTDP1CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641773-B1 PROCESS FOR PREPARING RALOXIFENE HYDROCHLORIDE ERREGIERRE SPA (IT) 2008-07-23 EP claimed
WO-1999025707-A1 2-ARYLBENZO[b]THIOPHENES USEFUL FOR THE TREATMENT OF ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 1999-05-27 WO claimed
WO-1999025707-A1 2-ARYLBENZO[b]THIOPHENES USEFUL FOR THE TREATMENT OF ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 1999-05-27 WO disclosed
US-5512684-A Process for preparing 3-(4-aminoethoxy-benzoyl) benzo B!-thiophenes ELI LILLY AND COMPANY (US) 1996-04-30 US disclosed
US-4985589-A (1S-cis)-3-(4-hydroxyphenyl),5-cyclohexadiene-1,2-diol and corresponding acetate GENERAL ELECTRIC COMPANY (US) 1991-01-15 US disclosed
US-4981793-A Biological and chemical method for hydroxylating 4-substituted biphenyls and products obtained therefrom GENERAL ELECTRIC COMPANY (US) 1991-01-01 US disclosed