SCHEMBL14033508

SCHEMBL14033508

COc1ccc2c(c1)CC/C(=C\c1ccc(-c3ccc(/C=C4\CCc5cc(OC)ccc5C4=O)cc3)cc1)C2=O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 7/20 0.81
CYP26A1 O43174 3/20 0.81
ALDH1A1 P00352 3/20 0.76
MAPT P10636 3/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
CYP19A1 P11511 3/20 0.76
LMNA P02545 1/20 0.76
ABCB1 P08183 1/20 0.73
MAPK1 P28482 1/20 0.70
BCHE P06276 1/20 0.67
ACHE P22303 1/20 0.67
MAOB P27338 2/20 0.66
KDM4E B2RXH2 2/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
CYP27A1 Q02318 1/20 0.62
HPGD P15428 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62

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
SCHEMBL6958968 0.94 MIF (0.85) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6967839 0.90 MIF (0.79) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8166049 0.89 MIF (0.77) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8169114 0.89 MIF (1.00) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8169116 0.89 MIF (1.00) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7704652 0.87 MIF (0.73) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6827637 0.86 CYP19A1 (1.00) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6827633 0.86 CYP19A1 (1.00) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8938872 0.85 MIF (0.80) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8541335 0.85 MIF (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432400-B2 Biphenylene compounds CIBA SPECIALTY CHEMICALS CORP. (US) 2008-10-07 US disclosed
US-7432400-B2 Biphenylene compounds CIBA SPECIALTY CHEMICALS CORP. (US) 2008-10-07 US disclosed