SCHEMBL21276873

SCHEMBL21276873

COc1ccc2c(c1)CCC1C2CCC2(C)C1C(C)C[C@H]2CC#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
HSD17B10 Q99714 1/20 0.53
ESR1 P03372 4/20 0.49
MAPT P10636 3/20 0.49
HSD17B1 P14061 2/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
NR3C1 P04150 1/20 0.48
PGR P06401 1/20 0.48
CNR1 P21554 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
STS P08842 3/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL7076832 0.83 LMNA (0.67) LMNAHSD17B10ESR1MAPTHSD17B1
SCHEMBL13797577 0.82 LMNA (0.68) LMNAHSD17B10ESR1MAPTHSD17B1
SCHEMBL12942778 0.82 LMNA (0.68) LMNAHSD17B10ESR1MAPTHSD17B1
SCHEMBL6026301 0.82 LMNA (0.68) LMNAHSD17B10ESR1MAPTHSD17B1
SCHEMBL6025711 0.80 LMNA (0.57) LMNAHSD17B10ESR1MAPTHSD17B1
SCHEMBL29942015 0.75 STS (0.63) LMNAHSD17B10ESR1MAPTHSD17B1
SCHEMBL13797574 0.75 LMNA (0.67) LMNAHSD17B10ESR1MAPTHSD17B1
SCHEMBL923334 0.75 LMNA (0.67) LMNAHSD17B10ESR1MAPTHSD17B1
SCHEMBL12904926 0.75 LMNA (0.67) LMNAHSD17B10ESR1MAPTHSD17B1
SCHEMBL13153839 0.75 LMNA (0.67) LMNAHSD17B10ESR1MAPTHSD17B1

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-3013847-B1 THERAPEUTICALLY ACTIVE ESTRATRIENTHIAZOLE DERIVATIVES AS INHIBITORS OF 17.BETA.-HYDROXY-STEROID DEHYDROGENASE, TYPE 1 FORENDO PHARMA LTD (FI) 2019-08-21 EP disclosed