SCHEMBL25413079

SCHEMBL25413079

[CH2]c1ccc(NC(=O)[C@H](CCCCN(C)C)NC(=O)C2(C(=O)NCCCCCN3C(=O)C=CC3=O)CCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 5/20 0.36
▸ HDAC1 Q13547 5/20 0.36
▸ HDAC2 Q92769 5/20 0.36
▸ HDAC10 Q969S8 5/20 0.36
▸ HDAC11 Q96DB2 5/20 0.36
▸ HDAC8 Q9BY41 5/20 0.36
▸ HDAC6 Q9UBN7 5/20 0.36
▸ OPRM1 P35372 2/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ FPR3 P25089 2/20 0.34
▸ FPR2 P25090 2/20 0.34
▸ SIRT1 Q96EB6 6/20 0.34
▸ AVPR1A P37288 1/20 0.33
▸ SIRT2 Q8IXJ6 8/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ SIRT3 Q9NTG7 3/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32

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
SCHEMBL17650869 0.90 PLG (0.36) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL26559935 0.90 OPRM1 (0.36) OPRM1OPRD1OPRK1SIRT1AVPR1A
SCHEMBL17650868 0.88 HDAC3 (0.32) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL17651521 0.87 CA1 (0.41) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL18332122 0.82 PLG (0.38) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL21695294 0.82 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL17813693 0.81 RAB9A (0.36) OPRM1OPRD1OPRK1SIRT1SIRT2
SCHEMBL22698653 0.81 SIRT2 (0.36) SIRT1SIRT2SIRT3
SCHEMBL16847844 0.80 OPRM1 (0.33) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL17801960 0.80 ITGB1 (0.34) HDAC3HDAC1HDAC2HDAC10HDAC11

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-2023147329-A1 ANTIBODY-CONJUGATED CHEMICAL INDUCERS OF DEGRADATION AND METHODS THEREOF GENENTECH, INC. (US) 2023-08-03 — — WO disclosed
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