SCHEMBL9532297

SCHEMBL9532297

CCC(O)CC(C(N)=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TSHR P16473 1/20 0.32
ECE1 P42892 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL27776026 0.80 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1TSHRALDH1A1
SCHEMBL21883848 0.80 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL276565 0.79
SCHEMBL18391445 0.77 CA1 (0.35) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL7376386 0.77 CA1 (0.35) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL15980616 0.77 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1TSHRECE1
SCHEMBL15980617 0.77 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1TSHRECE1
SCHEMBL3686597 0.77 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1TSHRECE1
SCHEMBL14261122 0.73 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1ECE1
SCHEMBL18594556 0.73 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1ECE1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543936-A4 RENIN INHIBITORS 1993-06-30 EP disclosed
EP-0543936-A1 RENIN INHIBITORS ABBOTT LABORATORIES (US) 1993-06-02 EP disclosed