SCHEMBL19683052

SCHEMBL19683052

NCCc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.59
KMT2A Q03164 2/20 0.56
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
OPRD1 P41143 1/20 0.41
CASP3 P42574 1/20 0.40

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
Hydrochloric Acid SCHEMBL15123572 0.99 EPHX2 (0.58) EPHX2KMT2ANPC1RECQLRAB9A
SCHEMBL23212115 0.90 EPHX2 (0.65) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL31607197 0.90 EPHX2 (0.65) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL30567065 0.89 EPHX2 (0.60) EPHX2KMT2ANPC1RECQLRAB9A
SCHEMBL728117 0.87 EPHX2 (0.64) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL13852689 0.86 EPHX2 (0.58) EPHX2KMT2ANPC1RECQLRAB9A
SCHEMBL2465503 0.86 EPHX2 (0.63) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL27952559 0.85 EPHX2 (0.59) EPHX2KMT2AFABP7FABP5CASP3
SCHEMBL15160758 0.85 EPHX2 (0.62) EPHX2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2465375 0.85 EPHX2 (0.62) EPHX2KMT2AFABP7FABP5CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954316-B2 Method for cleaving amide bonds Galderma Holding SA (CH) 2021-03-23 US disclosed
WO-2017207564-A1 METHOD FOR CLEAVING AMIDE BONDS GALDERMA S.A. (CH) 2017-12-07 WO disclosed