SCHEMBL23645808

SCHEMBL23645808

COc1ccc2c(c1)CCC1C2CCC2(C)C(N)CCC12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.76
HSD17B10 Q99714 1/20 0.76
ESR1 P03372 4/20 0.67
SMN1; SMN2 Q16637 2/20 0.64
MAPT P10636 2/20 0.64
HSD17B1 P14061 1/20 0.64
RECQL P46063 1/20 0.64
STS P08842 3/20 0.60
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
PGR P06401 2/20 0.58
SLC6A3 Q01959 2/20 0.58
ABCC4 O15439 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
HIF1A Q16665 1/20 0.58
ABCC1 P33527 1/20 0.58
NR3C1 P04150 1/20 0.58

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
SCHEMBL2712915 1.00 LMNA (0.76) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL10715585 1.00 LMNA (0.76) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL2713500 1.00 LMNA (0.76) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL23645593 1.00 LMNA (0.76) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL13015302 0.87 LMNA (0.77) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL10079788 0.87 LMNA (0.77) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL9593672 0.86 LMNA (0.72) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL9417521 0.86 LMNA (0.72) LMNAHSD17B10ESR1SMN1; SMN2MAPT
Estradiol Methyl Ether SCHEMBL6464173 0.86 HSD17B10 (1.00) LMNAHSD17B10ESR1SMN1; SMN2MAPT
Estradiol Methyl Ether SCHEMBL23645792 0.86 HSD17B10 (1.00) LMNAHSD17B10ESR1SMN1; SMN2MAPT

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-2625190-B1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC, ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION UNIV JUSTUS LIEBIG GIESSEN (DE) 2021-07-14 EP disclosed