SCHEMBL19203411

SCHEMBL19203411

CC(=O)C(CCCNC(N)=O)NC(=O)CNC(=O)CCCCCN1C(=O)CC(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 8/20 0.39
▸ OPRL1 P41146 7/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ ALB P02768 1/20 0.35
▸ NOD1 Q9Y239 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
SCHEMBL21322942 1.00 FOLH1 (0.39) FOLH1OPRL1HPGDHTTSMN1; SMN2
SCHEMBL19203551 0.88 FOLH1 (0.37) FOLH1OPRL1SMN1; SMN2ALB
SCHEMBL21322478 0.86 HDAC3 (0.35) FOLH1OPRL1HDAC3HDAC4HDAC1
SCHEMBL13113544 0.86 HDAC3 (0.35) FOLH1OPRL1HDAC3HDAC4HDAC1
SCHEMBL2734890 0.86 HDAC3 (0.35) FOLH1OPRL1HDAC3HDAC4HDAC1
SCHEMBL19203573 0.83 PTGS1 (0.40) HPGDHTTSMN1; SMN2ALBNOD1
SCHEMBL24831925 0.83 SIRT2 (0.37) FOLH1OPRL1HDAC1
SCHEMBL15626074 0.81 FOLH1 (0.35) FOLH1OPRL1HPGDHTTSMN1; SMN2
SCHEMBL278813 0.81 FOLH1 (0.35) FOLH1OPRL1HPGDHTTSMN1; SMN2
SCHEMBL19355685 0.80 SMN1; SMN2 (0.41) FOLH1HPGDHTTSMN1; SMN2HDAC3

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
EP-3273998-B1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMA (US) 2019-09-04 — — EP disclosed
WO-2017132173-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. (US) 2017-08-03 — — WO disclosed
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