SCHEMBL6958968

SCHEMBL6958968

COc1ccc(C=C2CCc3cc(OC)ccc3C2=O)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 7/20 0.85
CYP26A1 O43174 3/20 0.85
ALDH1A1 P00352 3/20 0.80
MAPT P10636 3/20 0.80
SMN1; SMN2 Q16637 3/20 0.80
CYP19A1 P11511 3/20 0.80
LMNA P02545 1/20 0.80
ABCB1 P08183 1/20 0.76
MAPK1 P28482 1/20 0.74
BCHE P06276 1/20 0.70
ACHE P22303 1/20 0.70
MAOB P27338 2/20 0.69
KDM4E B2RXH2 2/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
CYP27A1 Q02318 1/20 0.64
HPGD P15428 1/20 0.64
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64

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
SCHEMBL14033508 0.94 MIF (0.81) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6967839 0.93 MIF (0.79) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8166049 0.92 MIF (0.77) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8169116 0.92 MIF (1.00) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8169114 0.92 MIF (1.00) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3502646 0.90 MAOB (0.85) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13254636 0.90 MAOB (0.85) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7704652 0.90 MIF (0.73) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6827637 0.89 CYP19A1 (1.00) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6827633 0.89 CYP19A1 (1.00) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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