SCHEMBL14559596

SCHEMBL14559596

CCOC(=O)/C=C1/C[C@H]2CCC[C@H]2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.48
HCAR2 Q8TDS4 1/20 0.36
HPGD P15428 4/20 0.35
MAPK1 P28482 3/20 0.35
HSD17B10 Q99714 3/20 0.35
RECQL P46063 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 3/20 0.35
ATM Q13315 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL8349576 1.00 ESR2 (0.48) ESR2HCAR2HPGDMAPK1HSD17B10
SCHEMBL8348401 0.97 ESR2 (0.48) ESR2HCAR2HPGDMAPK1HSD17B10
SCHEMBL8348944 0.97 ESR2 (0.48) ESR2HCAR2HPGDMAPK1HSD17B10
SCHEMBL14570568 0.93 ESR2 (0.50) ESR2HCAR2HPGDMAPK1HSD17B10
SCHEMBL8344811 0.93 ESR2 (0.50) ESR2HCAR2HPGDMAPK1HSD17B10
SCHEMBL8345066 0.93 ESR2 (0.50) ESR2HCAR2HPGDMAPK1HSD17B10
SCHEMBL14570632 0.93 ESR2 (0.50) ESR2HCAR2HPGDMAPK1HSD17B10
SCHEMBL10790263 0.81 ESR2 (0.47) ESR2HCAR2HPGDMAPK1HSD17B10
SCHEMBL11018845 0.81 ESR2 (0.47) ESR2HCAR2HPGDMAPK1HSD17B10
SCHEMBL5084409 0.80 ESR2 (0.48) ESR2HCAR2HPGDMAPK1HSD17B10

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
EP-1506955-B1 Bicyclic amino acids as pharmaceuticals agents WARNER LAMBERT CO (US) 2007-03-28 EP disclosed
US-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US disclosed
US-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US disclosed