SCHEMBL6763570

SCHEMBL6763570

COC(=O)CCc1cccc2[nH]c(=O)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
EGFR P00533 3/20 0.45
SRC P12931 1/20 0.45
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
P2RY12 Q9H244 3/20 0.41
ADRB2 P07550 3/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40

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
SCHEMBL6766321 0.86 CYP4F2 (0.54) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL6768299 0.85 GRIN2D (0.51) ALDH1A1KDM4ESMN1; SMN2HSD17B10EGFR
SCHEMBL6767981 0.85 IAPP (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2GRIN2D
SCHEMBL6763616 0.83 GRIN2D (0.46) ALDH1A1KDM4ESMN1; SMN2EGFRSRC
SCHEMBL6772930 0.81 GRIN2D (0.45) EGFRSRCGRIN2DGRIN3BGRIN1
SCHEMBL6766109 0.81 MTNR1A (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6767964 0.80 EGFR (0.45) KDM4ESMN1; SMN2EGFRSRCGRIN2D
SCHEMBL6768239 0.79 GRIN2D (0.42) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20562275 0.79 EGFR (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL6767940 0.78 GRIN2D (0.43) ALDH1A1KDM4ESMN1; SMN2GRIN2DGRIN3B

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-6699880-B1 STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-02 US disclosed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 EP disclosed