SCHEMBL24915804

SCHEMBL24915804

CC(C)(C)OC(=O)CONC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.51
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CASP1 P29466 2/20 0.44
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL10682952 0.83 CTSL (0.58) SYKLMNAMEN1KMT2A
SCHEMBL6016839 0.81 SYK (0.57) SYKSMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL2170988 0.81 CA12 (0.64) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL28327204 0.80 SYK (0.48) SYKCA12CA1CA2CA9
SCHEMBL28731412 0.80 IDO1 (0.59) SYKCA12CA1CA2CA9
SCHEMBL20570343 0.80 LMNA (0.51) SYKSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL11289352 0.79 TP53 (0.59) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL22966170 0.79 CA12 (0.58) SYKCA12CA1CA2CA9
SCHEMBL716007 0.79 NPC1 (0.56) SYKCA12CA1NPC1RAB9A
SCHEMBL394244 0.79 ALDH1A1 (0.56) SYKCA12CA1SMN1; SMN2NPC1

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
WO-2023004240-A1 MACROCYLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-26 WO disclosed