SCHEMBL19852871

SCHEMBL19852871

O=CCNC(=O)C1CCCCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.57
KMT2A Q03164 1/20 0.53
HDAC6 Q9UBN7 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NAAA Q02083 1/20 0.49
HPGD P15428 2/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
PTPN1 P18031 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
EPHX2 P34913 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL19248304 1.00 EPHX1 (0.57) EPHX1KMT2AHDAC6SMN1; SMN2HDAC8
SCHEMBL15059606 0.98 KMT2A (0.55) EPHX1KMT2AHDAC6SMN1; SMN2HDAC8
SCHEMBL19142955 0.94 KMT2A (0.55) EPHX1KMT2AHDAC6SMN1; SMN2HDAC8
SCHEMBL23008904 0.87 ALDH1A1 (0.49) EPHX1KMT2AHDAC6SMN1; SMN2HDAC8
SCHEMBL22064136 0.86 ALDH1A1 (0.48) EPHX1KMT2AHDAC6SMN1; SMN2HDAC8
SCHEMBL25973060 0.85 EPHX1 (0.46) EPHX1KMT2AHDAC6SMN1; SMN2HDAC8
SCHEMBL3184451 0.82 NAAA (0.66) EPHX1KMT2AHDAC6SMN1; SMN2HDAC8
SCHEMBL3364953 0.82 EPHX1 (0.55) EPHX1KMT2AHDAC6SMN1; SMN2HDAC8
SCHEMBL11015380 0.82 KMT2A (0.81) EPHX1KMT2AHDAC6SMN1; SMN2HDAC8
SCHEMBL28042554 0.82 KMT2A (0.57) EPHX1KMT2ASMN1; SMN2HSD17B10HPGD

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
WO-2018027022-A1 COMBINATION OF PROTEASOME INHIBITORS AND ANTI-CD30 ANTIBODIES MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-02-08 WO disclosed