SCHEMBL8914276

SCHEMBL8914276

CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 7/20 0.52
GAA P10253 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
CA12 O43570 4/20 0.50
CA9 Q16790 4/20 0.50
CA1 P00915 3/20 0.50
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 6/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 3/20 0.42
POLB P06746 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
KMT2A Q03164 1/20 0.42
GLA P06280 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL10583564 0.85 KDM4E (0.48) KDM4EALDH1A1GAASMN1; SMN2CA12
SCHEMBL30910416 0.84 MMP3 (0.51) KDM4EALDH1A1GAASMN1; SMN2CA12
SCHEMBL29538803 0.83 CA12 (0.72) KDM4EALDH1A1GAASMN1; SMN2CA12
SCHEMBL29544152 0.82 KDM4E (0.50) KDM4EALDH1A1GAASMN1; SMN2CA12
SCHEMBL29350909 0.82 MAP2K1 (0.56) KDM4EALDH1A1GAASMN1; SMN2CA12
SCHEMBL29361704 0.82 KDM4E (0.43) KDM4EALDH1A1GAASMN1; SMN2CA12
SCHEMBL29356663 0.82 KDM4E (0.43) KDM4EALDH1A1GAASMN1; SMN2CA12
SCHEMBL29681151 0.82 KDM4E (0.60) KDM4EALDH1A1GAASMN1; SMN2CA12
SCHEMBL30014703 0.82 KDM4E (0.60) KDM4EALDH1A1GAASMN1; SMN2CA12
SCHEMBL24709906 0.80 KDM4E (0.40) KDM4EALDH1A1GAASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5627052-A Methods for the production of proteins with a desired function B.R. CENTRE, LTD. (CA) 1997-05-06 US disclosed
EP-0542810-A1 METHODS FOR THE PRODUCTION OF PROTEINS WITH A DESIRED FUNCTION B.R. CENTRE LIMITED (CA) 1993-05-26 EP disclosed
WO-1992002551-A1 METHODS FOR THE PRODUCTION OF PROTEINS WITH A DESIRED FUNCTION B.R. CENTRE LIMITED (CA) 1992-02-20 WO disclosed