SCHEMBL6967892

SCHEMBL6967892

O=C1C(=Cc2ccc(Cl)cc2)CCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 1.00
MIF P14174 8/20 0.73
CYP19A1 P11511 3/20 0.68
PKM P14618 3/20 0.68
CYP11B2 P19099 1/20 0.68
MAPK1 P28482 1/20 0.68
MAPT P10636 6/20 0.66
RAB9A P51151 3/20 0.66
CASP3 P42574 3/20 0.66
SENP8 Q96LD8 3/20 0.66
SENP7 Q9BQF6 3/20 0.66
SENP6 Q9GZR1 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
NPC1 O15118 2/20 0.63
KDM4E B2RXH2 1/20 0.63
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.59

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
SCHEMBL29546439 1.00 MAOB (1.00) MAOBMIFCYP19A1PKMCYP11B2
SCHEMBL8543003 1.00 MAOB (1.00) MAOBMIFCYP19A1PKMCYP11B2
SCHEMBL28733996 1.00 MAOB (1.00) MAOBMIFCYP19A1PKMCYP11B2
SCHEMBL14033869 0.87 MAOB (0.81) MAOBMIFCYP19A1PKMCYP11B2
SCHEMBL29546087 0.87 MAOB (1.00) MAOBMIFCYP19A1PKMCYP11B2
SCHEMBL29679848 0.87 MAOB (1.00) MAOBMIFCYP19A1PKMCYP11B2
SCHEMBL820654 0.87 MAOB (1.00) MAOBMIFCYP19A1PKMCYP11B2
SCHEMBL29546151 0.87 MAOB (1.00) MAOBMIFCYP19A1PKMCYP11B2
SCHEMBL980327 0.87 MAOB (1.00) MAOBMIFCYP19A1PKMCYP11B2
SCHEMBL15153677 0.87 MAOB (1.00) MAOBMIFCYP19A1PKMCYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112694449-B Asymmetric hydrogenation of ketone and alpha, beta-unsaturated ketone catalyzed by nonmetal catalyst 中国科学院化学研究所 2022-05-24 CN disclosed
CN-112694449-A Novel nonmetal catalyst for catalyzing asymmetric hydrogenation of ketone and alpha, beta-unsaturated ketone 中国科学院化学研究所 2021-04-23 CN disclosed
EP-1023063-B1 INDENO[1,2-c], NAPHTHO[1,2-c]- AND BENZO[6,7]CYCLOHEPTA[1,2-c]PYRAZOLE DERIVATIVES ABBOTT GMBH & CO KG (DE) 2003-09-10 EP disclosed
EP-0557075-B1 4H-naphtho 1,2-b pyran derivatives as antiproliferative agents LILLY CO ELI (GB) 1998-06-24 EP disclosed
US-5663375-A CELL PROLIFERATION ELI LILLY AND COMPANY (US) 1997-09-02 US disclosed
US-5622987-A PREVENT MIGRATION OR PROLIFERATION OF SMOOTH MUSCLE CELLS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
US-5378699-A Treatment of immune diseases, cell proliferation, restenosis and smooth muscle cells LILLY INDUSTRIES LIMITED (GB) 1995-01-03 US disclosed
US-5378717-A Therapy for diabetic complications ELI LILLY AND COMPANY (US) 1995-01-03 US disclosed
EP-0557075-A1 4H-naphtho 1,2-b pyran derivatives as antiproliferative agents LILLY INDUSTRIES LIMITED (GB) 1993-08-25 EP disclosed