SCHEMBL7181503

SCHEMBL7181503

O=C(Cc1ccccc1)c1ccc(OCCn2ccnc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 0.72
KMT2A Q03164 2/20 0.70
MEN1 O00255 1/20 0.70
LMNA P02545 1/20 0.70
LTA4H P09960 1/20 0.67
CYP19A1 P11511 1/20 0.64
CYP11B1 P15538 1/20 0.64
CYP11B2 P19099 1/20 0.64
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL8685423 0.85 TBXAS1 (0.80) TBXAS1KMT2AMEN1LMNALTA4H
SCHEMBL3777816 0.84 TBXAS1 (1.00) TBXAS1KMT2AMEN1LMNALTA4H
Dazoxiben SCHEMBL11554 0.83 TBXAS1 (1.00) TBXAS1KMT2AMEN1LMNAALDH1A1
Dazoxiben SCHEMBL4427771 0.82 TBXAS1 (0.97) TBXAS1KMT2AMEN1LMNAALDH1A1
Dazoxiben SCHEMBL564080 0.82 TBXAS1 (1.00) TBXAS1KMT2AMEN1LMNA
SCHEMBL10749397 0.82 TBXAS1 (1.00) TBXAS1KMT2AMEN1LMNALTA4H
SCHEMBL7132156 0.81 LTA4H (1.00) TBXAS1KMT2AMEN1LMNALTA4H
SCHEMBL10370478 0.80 TBXAS1 (1.00) TBXAS1KMT2AMEN1LMNALTA4H
SCHEMBL3005716 0.80 TBXAS1 (1.00) TBXAS1KMT2AMEN1LMNAALDH1A1
SCHEMBL8690308 0.80 TBXAS1 (0.78) TBXAS1KMT2AMEN1LMNAALDH1A1

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
US-6576645-B1 Such as 3-(4-chloro-1-(4-(2-(2-hydroxyethoxy)ethoxy)phenyl)--2-phenylbut-1 -enyl)phenol; producing tissue specific estro-genic and/or antiestrogenic effect HORMOS MEDICAL OY LTD (FI) 2003-06-10 US disclosed