SCHEMBL19954666

SCHEMBL19954666

CC(=O)N[C@@H](Cc1ccccc1)C(O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.54
LMNA P02545 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
REN P00797 2/20 0.49
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
PAM P19021 1/20 0.48

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
SCHEMBL7270681 0.92 CTRB1 (0.58) CTRB1LMNANPC1RAB9AREN
SCHEMBL24078873 0.88 CTRB1 (0.58) CTRB1LMNANPC1RAB9ACTSS
SCHEMBL7279589 0.83 CA2 (0.56) REN
SCHEMBL7442013 0.82 CTRB1 (0.55) CTRB1LMNANPC1RAB9ACTSS
SCHEMBL14570232 0.82 CTRB1 (0.55) CTRB1LMNANPC1RAB9ACTSS
SCHEMBL7434134 0.82 CTRB1 (0.55) CTRB1LMNANPC1RAB9ACTSS
SCHEMBL9535103 0.82 MTNR1A (0.55) CTRB1LMNARENCTSSCTSK
SCHEMBL14866005 0.81 CTRB1 (0.54) CTRB1LMNANPC1RAB9ACTSS
SCHEMBL7270640 0.80 KLK5 (0.60) CTRB1LMNACTSSCTSK
SCHEMBL7364425 0.80 CTSD (0.56) REN

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-9913834-B2 Bis-benzylidine piperidone proteasome inhibitor with anticancer activity THE JOHNS HOPKINS UNIVERSITY (US) 2018-03-13 US disclosed