SCHEMBL11046764

SCHEMBL11046764

O=C(c1ccc(Cl)cc1Cl)C(O)(Cn1cncn1)c1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
PKM P14618 1/20 0.51
CYP3A4 P08684 7/20 0.44
KMT2A Q03164 2/20 0.44
CYP19A1 P11511 3/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 3/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
GABRA1 P14867 1/20 0.43
HPGD P15428 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 4/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ADRA1A P35348 1/20 0.42
CYP51A1 Q16850 1/20 0.42

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
SCHEMBL11046029 0.88 KMT2A (0.52) LMNAPKMCYP3A4KMT2ACYP19A1
SCHEMBL10505552 0.86 HSP90AA1 (0.45) LMNAPKMCYP3A4KMT2ACYP19A1
SCHEMBL11071704 0.86 LMNA (0.50) LMNAPKMCYP3A4KMT2ACYP19A1
SCHEMBL11122701 0.84 CYP3A4 (0.46) LMNAPKMCYP3A4KMT2ACYP19A1
SCHEMBL11075667 0.83 CYP3A4 (0.46) LMNAPKMCYP3A4KMT2ACYP19A1
SCHEMBL11062293 0.82 KMT2A (0.44) CYP3A4KMT2AALDH1A1MAPTTSHR
SCHEMBL11115482 0.81 LMNA (0.53) LMNAPKMCYP3A4KMT2ACYP19A1
SCHEMBL14155943 0.80 CYP3A4 (0.43) LMNAPKMCYP3A4KMT2ACYP19A1
SCHEMBL9642451 0.80 KMT2A (0.44) LMNAPKMCYP3A4KMT2ACYP19A1
SCHEMBL9642448 0.80 KMT2A (0.44) LMNAPKMCYP3A4KMT2ACYP19A1

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-0117578-A2 Azole-substituted alcohol derivatives SHIONOGI & CO., LTD. (JP) 1984-09-05 EP disclosed