SCHEMBL11248416

SCHEMBL11248416

CSc1ccc(CCC[C@@H]2CN[C@H](C(=O)O)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.45
GRIK1 P39086 3/20 0.38
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
S1PR3 Q99500 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSC P53634 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
Hydrochloric Acid SCHEMBL11245377 0.88 ARG1 (0.36) ARG1GRIK1MMP12MMP13MEN1
SCHEMBL11239411 0.84 ARG1 (0.51) ARG1GRIK1KDM4ESMN1; SMN2
SCHEMBL11239409 0.84 ARG1 (0.51) ARG1GRIK1KDM4ESMN1; SMN2
SCHEMBL19432303 0.84 ARG1 (0.51) ARG1GRIK1KDM4ESMN1; SMN2
SCHEMBL5516614 0.83 ARG1 (0.48) ARG1GRIK1ALDH1A1
SCHEMBL5510068 0.83 ARG1 (0.48) ARG1GRIK1NPC1
SCHEMBL4862877 0.81 ARG1 (0.48) ARG1GRIK1SMN1; SMN2ALDH1A1
SCHEMBL11243299 0.76 ARG1 (0.54) ARG1GRIK1KDM4E
SCHEMBL11243295 0.76 ARG1 (0.54) ARG1GRIK1KDM4E
SCHEMBL3787271 0.72 ARG1 (0.60) ARG1S1PR3MEN1KMT2AALDH1A1

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-4316905-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 US disclosed