SCHEMBL6822362

SCHEMBL6822362

CCCC1=C(Cc2ccncc2)CCc2cc(OC)ccc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.50
CYP11B2 P19099 6/20 0.49
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MIF P14174 1/20 0.46
CYP17A1 P05093 2/20 0.46
CYP11B1 P15538 1/20 0.42
MPO P05164 1/20 0.42
CYP2D6 P10635 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
Hydrochloric Acid SCHEMBL7169192 0.99 CYP19A1 (0.49) CYP19A1CYP11B2ALDH1A1LMNAMAPT
SCHEMBL6822439 0.90 CYP19A1 (0.52) CYP19A1CYP11B2ALDH1A1LMNAMAPT
SCHEMBL6827784 0.82 CYP19A1 (0.65) CYP19A1CYP11B2ALDH1A1LMNAMAPT
SCHEMBL6827715 0.80 CYP19A1 (0.54) CYP19A1CYP11B2ALDH1A1LMNAMAPT
SCHEMBL6825253 0.78 CYP19A1 (0.44) CYP19A1CYP11B2ALDH1A1LMNAMAPT
SCHEMBL7457634 0.75 CYP19A1 (0.48) CYP19A1LMNAMAPTSMN1; SMN2
SCHEMBL6825612 0.74 CYP19A1 (0.53) CYP19A1CYP11B2ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL7453886 0.74 CYP19A1 (0.47) CYP19A1LMNAMAPTSMN1; SMN2
SCHEMBL6822431 0.69 CYP11B2 (0.63) CYP19A1CYP11B2CYP17A1CYP11B1
SCHEMBL3847255 0.68 ESR1 (0.52) CYP19A1CYP11B2ALDH1A1SMN1; SMN2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028110-B1 NOVEL DIHYDRONAPHTHALENE COMPOUNDS AND PROCESS FOR PRODUCING THE SAME DAIICHI SEIYAKU CO (JP) 2004-04-14 EP disclosed
US-6559157-B2 Excellent 17 alpha - hydroxylase/C17-20-lyase and aromatase inhibiting activity, thromboxan A2 synthesis inhibiting activity, useful as preventive and/or therapeutic agents for various male and female sex hormone dependent diseases DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-05-06 US disclosed