SCHEMBL7658136

SCHEMBL7658136

CC(C)CCN1C(=O)C(C(=O)CC(C)C)C(=O)N(CCC(C)C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC25A5 P05141 1/20 0.42
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
CCKBR P32239 3/20 0.36
SORT1 Q99523 4/20 0.35
GAA P10253 1/20 0.34
DAO P14920 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MME P08473 1/20 0.31
HTT P42858 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
SCHEMBL7656836 0.88 SLC25A5 (0.35) SLC25A5ALDH1A1MAPTCCKBRSORT1
SCHEMBL7664138 0.85 EP300 (0.53) SLC25A5ALDH1A1CCKBRGAAMEN1
SCHEMBL7833467 0.81 SLC25A5 (0.39) SLC25A5ALDH1A1CCKBRSORT1GAA
SCHEMBL7665537 0.74 EP300 (0.53) ALDH1A1MAPTCCKBRGAAMEN1
SCHEMBL7651075 0.74 EP300 (0.61) SLC25A5ALDH1A1GAAMEN1CYP2C19
SCHEMBL7660452 0.70 CCKBR (0.39) ALDH1A1MAPTCCKBRSMN1; SMN2
SCHEMBL3422159 0.65 MEN1 (0.44) ALDH1A1MAPTSORT1GAADAO
SCHEMBL15041961 0.64 SLC25A5 (0.37) SLC25A5ALDH1A1MAPTSORT1DAO
SCHEMBL7484676 0.63 SORT1 (0.39) ALDH1A1CCKBRSORT1DAOSMN1; SMN2
SCHEMBL23948519 0.63 LMNA (0.41) ALDH1A1CCKBRSORT1GAAMEN1

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
US-6498164-B1 SUCH AS 1,3-DIBENZYL-5-(PHENYL- OR 2-THIENYL-ACETYL)BARBI-TURIC ACID; MALIGNANT HYPERCALCEMIA, OSTEOLYTIC DISEASES SUCH AS PAGET'S DISEASE, OSTEOPOROSIS, ARTICULAR RHEUMATISM OCCURRING IN KNEES, SHOULDERS, JOINTS AVENTIS PHARMA S.A. (FR) 2002-12-24 US claimed
US-6498164-B1 SUCH AS 1,3-DIBENZYL-5-(PHENYL- OR 2-THIENYL-ACETYL)BARBI-TURIC ACID; MALIGNANT HYPERCALCEMIA, OSTEOLYTIC DISEASES SUCH AS PAGET'S DISEASE, OSTEOPOROSIS, ARTICULAR RHEUMATISM OCCURRING IN KNEES, SHOULDERS, JOINTS AVENTIS PHARMA S.A. (FR) 2002-12-24 US disclosed