SCHEMBL6565814

SCHEMBL6565814

COc1ccc2c(c1)CCC1C=CC(=O)CC21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.52
HSD17B1 P14061 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
CYP19A1 P11511 3/20 0.45
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR1 P03372 1/20 0.40
HTR2C P28335 1/20 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
SCHEMBL6247266 1.00 SRD5A1 (0.52) SRD5A1HSD17B1LMNAMAPTRECQL
SCHEMBL6247040 1.00 SRD5A1 (0.52) SRD5A1HSD17B1LMNAMAPTRECQL
SCHEMBL6260285 0.74 SRD5A1 (0.55) SRD5A1HSD17B1LMNAMAPTRECQL
SCHEMBL6249634 0.74 SRD5A1 (0.55) SRD5A1HSD17B1LMNAMAPTRECQL
SCHEMBL6851908 0.72 LMNA (0.55) SRD5A1HSD17B1LMNAMAPTRECQL
SCHEMBL6568982 0.72 LMNA (0.55) SRD5A1HSD17B1LMNAMAPTRECQL
SCHEMBL6569001 0.71 LMNA (0.60) SRD5A1HSD17B1LMNAMAPTRECQL
SCHEMBL25529639 0.71 LMNA (0.60) SRD5A1HSD17B1LMNAMAPTRECQL
SCHEMBL11684200 0.71 SRD5A1 (0.46) SRD5A1HSD17B1LMNAMAPTRECQL
SCHEMBL7797824 0.69 SRD5A1 (0.65) 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
WO-2002053522-A2 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS I KARO BIO AB (SE) 2002-07-11 WO disclosed