SCHEMBL29955027

SCHEMBL29955027

CC[C@@H](CC=O)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.60
CTRB1 P17538 2/20 0.57
CTSK P43235 5/20 0.50
CTSL P07711 4/20 0.50
CTSS P25774 4/20 0.50
CTSB P07858 3/20 0.50
ATM Q13315 1/20 0.50
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
ELANE P08246 1/20 0.47
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47
PSMB2 P49721 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL29957249 1.00 SYK (0.60) SYKCTRB1CTSKCTSLCTSS
SCHEMBL12220545 0.88 SYK (0.69) SYKCTRB1CTSKCTSLCTSS
SCHEMBL14318309 0.88 SYK (0.59) SYKCTRB1CTSKCTSLCTSS
SCHEMBL8697513 0.87 CTRB1 (0.70) SYKCTRB1CTSKCTSLCTSS
SCHEMBL7403909 0.87 CTRB1 (0.70) SYKCTRB1CTSKCTSLCTSS
SCHEMBL25260283 0.86 CTRB1 (0.57) SYKCTRB1ATM
SCHEMBL18956286 0.86 CTRB1 (0.57) SYKCTRB1ATM
SCHEMBL25916366 0.86 CTRB1 (0.51) SYKCTRB1CTSKCTSLCTSS
SCHEMBL213314 0.84 SYK (0.64) SYKCTRB1CTSKCTSLCTSS
SCHEMBL8900969 0.84 CTRB1 (0.74) SYKCTRB1CTSKCTSLCTSS

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed