SCHEMBL6827735

SCHEMBL6827735

COc1ccc2c(c1)CCC(=Cc1cccnc1)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 1.00
CYP19A1 P11511 10/20 0.84
CYP11B1 P15538 6/20 0.84
CYP11B2 P19099 6/20 0.84
ALDH1A1 P00352 3/20 0.74
MAPT P10636 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
LMNA P02545 1/20 0.74
KMT2A Q03164 2/20 0.67
PKM P14618 1/20 0.67
ABCB1 P08183 1/20 0.64
CYP26A1 O43174 1/20 0.63
MEN1 O00255 1/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
MAPK1 P28482 1/20 0.62
MAOB P27338 1/20 0.61

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
SCHEMBL6827732 1.00 MIF (1.00) MIFCYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL6822395 0.92 MIF (0.85) MIFCYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL6822394 0.92 MIF (0.85) MIFCYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL4226034 0.91 CYP19A1 (1.00) MIFCYP19A1CYP11B1CYP11B2
SCHEMBL4226036 0.91 CYP19A1 (1.00) MIFCYP19A1CYP11B1CYP11B2
SCHEMBL4226031 0.91 CYP19A1 (1.00) MIFCYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL4222419 0.90 CYP19A1 (0.97) MIFCYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL4222413 0.90 CYP19A1 (0.97) MIFCYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL4231776 0.90 CYP19A1 (0.97) MIFCYP19A1CYP11B1CYP11B2
SCHEMBL6827633 0.85 CYP19A1 (1.00) MIFCYP19A1CYP11B2ALDH1A1MAPT

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-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
EP-1028110-A1 NOVEL DIHYDRONAPHTHALENE COMPOUNDS AND PROCESS FOR PRODUCING THE SAME Yukijirushi Nyugyo Kabushiki Kaisha (JP) 2000-08-16 EP disclosed