SCHEMBL8101665

SCHEMBL8101665

O=C(Cl)OCC1c2ccccc2-c2ccccc21.O=C(Cl)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 3/20 0.49
▸ FABP7 O15540 2/20 0.49
▸ KMT2A Q03164 2/20 0.47
▸ EPHX2 P34913 1/20 0.44
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ CASP3 P42574 2/20 0.40
▸ MDM4 O15151 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL27547 0.89 KMT2A (0.55) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL29349891 0.89 KMT2A (0.55) FABP5FABP7KMT2AEPHX2CA1
Ammonia Solution, Strong SCHEMBL27794450 0.88 KMT2A (0.54) FABP5FABP7KMT2AEPHX2CA1
Hydrochloric Acid SCHEMBL810434 0.88 KMT2A (0.54) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL8675296 0.83 ALDH1A1 (0.45) FABP5FABP7KMT2AEPHX2ALDH1A1
SCHEMBL27143076 0.83 FABP5 (0.52) FABP5FABP7KMT2AEPHX2CA1
Acetonitrile SCHEMBL29013970 0.81 KMT2A (0.48) FABP5FABP7KMT2AEPHX2CA1
Ortho-Phthalaldehyde SCHEMBL29008730 0.79 KMT2A (0.47) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL4602139 0.78 ALDH1A1 (0.46) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL44677 0.77 FABP5 (0.59) FABP5FABP7KMT2AEPHX2CA1

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
EP-0973936-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 2000-01-26 — — EP disclosed
WO-1998057173-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PHENYLALANINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-12-17 — — WO disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 — — WO disclosed
WO-1998008813-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 — — WO disclosed
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