SCHEMBL5340682

SCHEMBL5340682

C[C@H](NC(=O)OC(C)(C)COCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.52
PPARG P37231 2/20 0.47
CTSS P25774 2/20 0.46
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.43
CTSK P43235 3/20 0.43
LTA4H P09960 2/20 0.42
MME P08473 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
SYK P43405 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
SCHEMBL10473062 0.82 CTSS (0.46) PPARAPPARGCTSSATMCTSK
SCHEMBL4630907 0.81 MEN1 (0.52) PPARAPPARGCTSSMEN1TSHR
SCHEMBL6387549 0.81 PPARA (0.49) PPARAPPARGCTSSCTSKCTSL
SCHEMBL241565 0.77 CTSK (0.61) CTSSMEN1KMT2AATMCTSK
SCHEMBL241564 0.77 CTSK (0.61) CTSSMEN1KMT2AATMCTSK
SCHEMBL856196 0.77 CTSK (0.61) CTSSMEN1KMT2AATMCTSK
SCHEMBL7330223 0.77 PPARA (0.71) PPARAPPARGCTSSMEN1KMT2A
Hydrochloric Acid SCHEMBL7400990 0.76 CTSK (0.60) CTSSMEN1KMT2AATMCTSK
Hydrochloric Acid SCHEMBL7400995 0.76 CTSK (0.60) CTSSMEN1KMT2AATMCTSK
SCHEMBL7334052 0.76 ALDH1A1 (0.51) PPARACTSSTSHRKMT2A

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-2007096334-A1 PYRROLOPYRROLONES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2007-08-30 WO disclosed