SCHEMBL20121890

SCHEMBL20121890

CC[C@H](C)C(C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC)cc1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CTSB P07858 5/20 0.36
▸ CTSK P43235 4/20 0.36
▸ CTSL P07711 3/20 0.36
▸ CTSS P25774 3/20 0.36
▸ MME P08473 1/20 0.33
▸ ECE1 P42892 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ TPSAB1 Q15661 3/20 0.31
▸ PRSS1 P07477 2/20 0.31
▸ PLG P00747 1/20 0.31

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
SCHEMBL19286749 0.88 CTSB (0.39) MEN1KMT2ALMNACTSBCTSK
SCHEMBL19719340 0.87 MEN1 (0.34) MEN1KMT2ALMNACTSBCTSK
SCHEMBL23348903 0.81 — —
SCHEMBL21849676 0.81 TPSAB1 (0.39) MEN1KMT2ALMNACTSBCTSK
SCHEMBL19286750 0.79 CTSB (0.37) MEN1KMT2ALMNACTSBCTSK
SCHEMBL23191634 0.79 MEN1 (0.32) MEN1KMT2ALMNACTSBCTSK
SCHEMBL31275685 0.77 CTSB (0.42) MEN1KMT2ALMNACTSBCTSK
SCHEMBL24040106 0.77 CTSB (0.40) MEN1KMT2ALMNACTSBCTSK
SCHEMBL19884607 0.77 TPSAB1 (0.41) MEN1KMT2ALMNACTSBCTSK
SCHEMBL25790651 0.76 CTSB (0.46) MEN1KMT2ALMNACTSBCTSK

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-9962454-B2 Antibody drug conjugates (ADC) that bind to 191P4D12 proteins AGENSYS, INC. (US) 2018-05-08 — — US disclosed
Send feedback