SCHEMBL17104371

SCHEMBL17104371

CC[C@@](C)(NC(=O)c1ccc(CNC(=N)N)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 11/20 0.48
▸ NR1H4 Q96RI1 8/20 0.48
▸ HDAC6 Q9UBN7 4/20 0.44
▸ LMNA P02545 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TPSAB1 Q15661 1/20 0.44
▸ HDAC3 O15379 2/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PPARG P37231 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ PPARA Q07869 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
SCHEMBL24534514 0.78 PLK1 (0.57) LMNARAB9AKMT2A
SCHEMBL24534681 0.76 HDAC1 (0.53) EPHX2NR1H4HDAC6LMNARAB9A
SCHEMBL24534839 0.76 PLK1 (0.59) RAB9AMEN1KMT2A
SCHEMBL28456818 0.76 POLB (0.57) HDAC6RAB9AHDAC3HDAC8CA1
SCHEMBL4104833 0.74 KMT2A (0.62) EPHX2NR1H4MEN1KMT2A
SCHEMBL24534804 0.74 RARB (0.54) MEN1CYP1A2KMT2A
SCHEMBL10820422 0.73 EPHX2 (0.55) EPHX2NR1H4HDAC6LMNARAB9A
Hydrochloric Acid SCHEMBL3883713 0.73 KMT2A (0.61) EPHX2NR1H4MEN1KMT2A
SCHEMBL28788465 0.72 SMN1; SMN2 (0.40) LMNAMEN1CYP1A2KMT2A
SCHEMBL10819627 0.72 ST14 (0.47) EPHX2NR1H4HDAC6RAB9ATPSAB1

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-2450374-B9 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-11-23 — — EP disclosed
EP-2450374-B1 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-09-30 — — EP disclosed
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