SCHEMBL6535975

SCHEMBL6535975

O=C1OC2(c3ccc(O)cc3Oc3cc(O)cc(F)c32)c2c(Cl)c(Cl)c(Cl)c(Cl)c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
ALDH1A1 P00352 3/20 0.51
BRCA1 P38398 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ALOX12 P18054 2/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
SMAD3 P84022 2/20 0.49
FTO Q9C0B1 9/20 0.47
RECQL P46063 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
BLM P54132 2/20 0.47
MAPT P10636 2/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
PRMT1 Q99873 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
THRB P10828 2/20 0.44

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
SCHEMBL134733 0.88 ALDH1A1 (0.63) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL29361906 0.88 ALDH1A1 (0.63) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL30887311 0.88 ALDH1A1 (0.63) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL30887310 0.88 ALDH1A1 (0.63) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL5453230 0.87 ALDH1A1 (0.62) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL161170 0.86 SMAD3 (0.54) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL534888 0.85 ALDH1A1 (0.52) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL4824404 0.84 HPGD (0.53) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL1463198 0.81 SMAD3 (0.56) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL1819444 0.80 ALDH1A1 (0.49) HPGDALDH1A1BRCA1HSD17B10ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106109-A1 Detection of ras mutations BELLY ROBERT T (US) 2004-06-03 US disclosed
EP-1412512-A4 DETECTION OF RAS MUTATIONS ORTHO CLINICAL DIAGNOSTICS INC (US) 2004-04-28 EP disclosed
EP-1412512-A2 DETECTION OF RAS MUTATIONS Ortho-Clinical Diagnostics, Inc. (US) 2004-04-28 EP disclosed
WO-2002029005-A2 DETECTION OF RAS MUTATIONS ORTHO-CLINICAL DIAGNOSTICS, INC. (US) 2002-04-11 WO disclosed