SCHEMBL19486199

SCHEMBL19486199

COc1ccc(NC(=O)[C@H](CCCCCN)NC(=O)c2cc(NC(=O)[C@H](CCCCN)NC(=O)c3cc(NC(=O)[C@H](CCCCN)NC(=O)c4cc(NC(=O)[C@H](CCCCN)NC(=O)c5ccccc5C(=O)O)ccc4OC)ccc3OC)ccc2OC)cc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ MMP2 P08253 2/20 0.44
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HDAC1 Q13547 5/20 0.40
▸ HDAC3 O15379 3/20 0.40
▸ HDAC4 P56524 3/20 0.40
▸ HDAC7 Q8WUI4 3/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ HDAC10 Q969S8 3/20 0.40
▸ HDAC11 Q96DB2 3/20 0.40
▸ HDAC8 Q9BY41 3/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.40
▸ HDAC9 Q9UKV0 3/20 0.40
▸ HDAC5 Q9UQL6 3/20 0.40
▸ PADI1 Q9ULC6 1/20 0.39
▸ PADI3 Q9ULW8 1/20 0.39
▸ PADI4 Q9UM07 1/20 0.39
▸ PPARG P37231 1/20 0.39

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
SCHEMBL19945230 1.00 TSHR (0.44) TSHRMMP2LMNAMEN1KMT2A
SCHEMBL12515488 0.99 TSHR (0.45) TSHRMMP2LMNAMEN1KMT2A
SCHEMBL21371960 0.92 HDAC1 (0.48) TSHRMMP2HDAC1HDAC3HDAC4
SCHEMBL19219853 0.92 HDAC1 (0.48) TSHRMMP2HDAC1HDAC3HDAC4
SCHEMBL12515244 0.91 HDAC1 (0.47) TSHRMMP2LMNAMEN1KMT2A
SCHEMBL21372002 0.91 MMP2 (0.45) TSHRMMP2LMNAMEN1KMT2A
SCHEMBL19445793 0.91 HDAC1 (0.47) TSHRMMP2LMNAMEN1KMT2A
SCHEMBL12518396 0.90 MMP2 (0.46) TSHRMMP2LMNAMEN1KMT2A
SCHEMBL21372024 0.90 TSHR (0.47) TSHRLMNAMEN1KMT2AHDAC1
SCHEMBL19445643 0.89 ALDH1A1 (0.43) TSHRMMP2LMNAMEN1KMT2A

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
US-9795575-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2017-10-24 — — US disclosed
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