SCHEMBL7433986

SCHEMBL7433986

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

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
TSHR P16473 1/20 0.31
CPT2 P23786 1/20 0.31
ACLY P53396 1/20 0.31
HSPD1 P10809 1/20 0.31
BLM P54132 1/20 0.31
HSPE1 P61604 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL28995293 0.76 CPT2 (0.37) GRM2GRM3TSHRCPT2ACLY
SCHEMBL3979316 0.71 ACLY (0.57) GRM2GRM3CPT2ACLYHSPD1
SCHEMBL7437959 0.68 ALDH1A1 (0.32) TSHRGAA
SCHEMBL6279850 0.68 RNPEP (0.39) GRM2GRM3CPT2ACLYHSPD1
SCHEMBL19285040 0.67 TSHR (0.35) TSHRBLMMEN1KMT2A
SCHEMBL2291884 0.67 TSHR (0.35) TSHRBLMMEN1KMT2A
SCHEMBL19285495 0.67 TSHR (0.35) TSHRBLMMEN1KMT2A
SCHEMBL9655584 0.67 ALDH1A1 (0.31) TSHR
SCHEMBL18538617 0.66 GAA (0.44) GRM2GRM3TSHRGAASMN1; SMN2
SCHEMBL11142356 0.66

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-6344457-B1 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPOROSIS, CORNEAL ULCERATION, PERIODONTITIS, GINGIVITIS OR TUMOROUS INVASION AND METASTATIC PROLIFERATION, ATHEROSCLEROSIS, AIDS, CHRONIC INFLAMMATORY DISEASES OF THE INTESTINE CHIESI FARMACEUTICI S.P.A. (IT) 2002-02-05 US disclosed