SCHEMBL6260285

SCHEMBL6260285

COc1ccc2c(c1)CC[C@H]1CCC(=O)CC21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.55
HSD17B1 P14061 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
MAPK1 P28482 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
CYP19A1 P11511 1/20 0.45
HSD17B10 Q99714 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2C P28335 1/20 0.43
ESR1 P03372 1/20 0.42
CHRNA7 P36544 1/20 0.42

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
SCHEMBL6249634 1.00 SRD5A1 (0.55) SRD5A1HSD17B1LMNAMAPTRECQL
SCHEMBL15308499 0.79 SIGMAR1 (0.57) SRD5A1ALDH1A1CYP3A4THRBMAPK1
SCHEMBL5559578 0.79 SIGMAR1 (0.57) SRD5A1ALDH1A1CYP3A4THRBMAPK1
SCHEMBL5559815 0.79 SIGMAR1 (0.57) SRD5A1ALDH1A1CYP3A4THRBMAPK1
SCHEMBL6247625 0.78 ESR2 (0.48) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL13923485 0.74 SRD5A1 (0.49) SRD5A1HSD17B1LMNAMAPTRECQL
Hydrochloric Acid SCHEMBL10835629 0.74 HTR2C (0.52) SRD5A1HSD17B1LMNAMAPTRECQL
SCHEMBL6569001 0.74 LMNA (0.60) SRD5A1HSD17B1LMNAMAPTRECQL
SCHEMBL25529639 0.74 LMNA (0.60) SRD5A1HSD17B1LMNAMAPTRECQL
SCHEMBL6565814 0.74 SRD5A1 (0.52) SRD5A1HSD17B1LMNAMAPTRECQL

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
EP-1399406-B1 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS I KAROBIO AB (SE) 2005-08-10 EP disclosed