SCHEMBL22524939

SCHEMBL22524939

CCCCCCC(=O)N(CCC)CCCC(=O)NCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.63
▸ HDAC3 O15379 3/20 0.57
▸ HDAC1 Q13547 3/20 0.57
▸ HDAC2 Q92769 3/20 0.57
▸ HDAC10 Q969S8 3/20 0.57
▸ HDAC11 Q96DB2 3/20 0.57
▸ HDAC8 Q9BY41 3/20 0.57
▸ HDAC6 Q9UBN7 3/20 0.57
▸ NCOR2 Q9Y618 3/20 0.57
▸ HPGD P15428 1/20 0.57
▸ HDAC4 P56524 2/20 0.54
▸ HDAC9 Q9UKV0 2/20 0.54
▸ HDAC7 Q8WUI4 1/20 0.54
▸ HDAC5 Q9UQL6 1/20 0.54
▸ F13A1 P00488 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.52
▸ TRPV1 Q8NER1 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL27258749 0.96 EPHX2 (0.64) EPHX2HDAC3HDAC1HDAC2HDAC10
SCHEMBL27029534 0.86 EPHX2 (0.80) EPHX2HDAC3HDAC1HDAC2HDAC10
SCHEMBL30445464 0.86 EPHX2 (0.80) EPHX2HDAC3HDAC1HDAC2HDAC10
SCHEMBL1456740 0.86 EPHX2 (0.80) EPHX2HDAC3HDAC1HDAC2HDAC10
SCHEMBL19043177 0.86 EPHX2 (0.80) EPHX2HDAC3HDAC1HDAC2HDAC10
SCHEMBL4183114 0.86 EPHX2 (0.80) EPHX2HDAC3HDAC1HDAC2HDAC10
SCHEMBL7426779 0.85 EPHX2 (0.78) EPHX2HDAC3HDAC1HDAC2HDAC10
SCHEMBL24095740 0.81 EPHX2 (0.77) EPHX2HDAC3HDAC1HDAC2HDAC10
SCHEMBL27404704 0.81 HPGD (0.80) EPHX2HDAC3HDAC1HDAC2HDAC10
SCHEMBL1285523 0.81 HPGD (0.74) EPHX2HDAC3HDAC1HDAC2HDAC10

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-2020201753-A1 BICYCLE TOXIN CONJUGATES AND USES THEREOF BICYCLETX LIMITED (GB) 2020-10-08 — — WO disclosed
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