SCHEMBL2481578

SCHEMBL2481578

O=C(N[C@@H](CO)Cc1ccccc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CTRB1 P17538 2/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ MDM4 O15151 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ EPHX2 P34913 1/20 0.47

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
SCHEMBL21645558 1.00 CASP3 (0.50) CASP3KMT2AL3MBTL1CTRB1CYP3A4
SCHEMBL2481585 1.00 CASP3 (0.50) CASP3KMT2AL3MBTL1CTRB1CYP3A4
SCHEMBL19022491 0.91 PTPN1 (0.48) CASP3KMT2AL3MBTL1CYP3A4MAPK1
SCHEMBL19022495 0.91 PTPN1 (0.48) CASP3KMT2AL3MBTL1CYP3A4MAPK1
SCHEMBL31520511 0.91 MDM2 (0.47) CASP3KMT2AL3MBTL1MDM4TP53
SCHEMBL31520506 0.91 KMT2A (0.46) CASP3KMT2AL3MBTL1MDM4TP53
SCHEMBL31520505 0.90 CASP3 (0.48) CASP3KMT2ACTRB1MDM4TP53
SCHEMBL6520211 0.90 KMT2A (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29400883 0.90 KMT2A (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119383 0.89 CASP3 (0.57) CASP3KMT2ACTRB1MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8717565-B2 Optically active functional fluid markers THE LUBRIZOL CORPORATION (US) 2014-05-06 — — US disclosed
EP-2376894-A1 OPTICALLY ACTIVE FUNCTIONAL FLUID MARKERS The Lubrizol Corporation (US) 2011-10-19 — — EP disclosed
EP-2373977-A1 OPTICALLY ACTIVE FUNCTIONAL FLUID MARKERS The Lubrizol Corporation (US) 2011-10-12 — — EP disclosed
WO-2010077753-A1 OPTICALLY ACTIVE FUNCTIONAL FLUID MARKERS THE LUBRIZOL CORPORATION (US) 2010-07-08 — — WO disclosed
WO-2010077754-A1 OPTICALLY ACTIVE FUNCTIONAL FLUID MARKERS THE LUBRIZOL CORPORATION (US) 2010-07-08 — — WO disclosed
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