SCHEMBL5267416

SCHEMBL5267416

C=C1C[C@H](O)[C@@]2(C)CCC3c4ccc(N(C(=O)COCC)S(=O)(=O)O)cc4CCC3[C@H]12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 2/20 0.43
ABCC1 P33527 1/20 0.43
LMNA P02545 5/20 0.41
HSD17B10 Q99714 4/20 0.41
ESR1 P03372 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ADORA3 P0DMS8 2/20 0.41
ATM Q13315 2/20 0.41
PGR P06401 2/20 0.41
AR P10275 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
STS P08842 2/20 0.41
RECQL P46063 2/20 0.41
BLM P54132 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 4/20 0.39

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
SCHEMBL5266311 1.00 ABCC4 (0.43) ABCC4ABCC1LMNAHSD17B10ESR1
SCHEMBL5266573 0.93 LMNA (0.44) ABCC4ABCC1LMNAHSD17B10ESR1
SCHEMBL5266242 0.93 LMNA (0.44) ABCC4ABCC1LMNAHSD17B10ESR1
SCHEMBL5264285 0.92 ABCC4 (0.40) ABCC4ABCC1LMNAHSD17B10ESR1
SCHEMBL5264417 0.92 ABCC4 (0.40) ABCC4ABCC1LMNAHSD17B10ESR1
SCHEMBL7100301 0.83 ABCC1 (0.47) ABCC4ABCC1LMNAHSD17B10ESR1
SCHEMBL7099192 0.78 ABCC4 (0.53) ABCC4ABCC1LMNAHSD17B10ESR1
SCHEMBL8623796 0.77 LMNA (0.67) ABCC4ABCC1LMNAHSD17B10ESR1
SCHEMBL7098854 0.77 ABCC4 (0.55) ABCC4ABCC1LMNAHSD17B10ESR1
SCHEMBL6636478 0.75 ABCC1 (0.48) ABCC4ABCC1LMNAHSD17B10ESR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1418921-B1 ANTI-TUMOUR 2-ALKOXYESTRADIOL SULFAMATES STERIX LTD (GB) 2007-10-03 EP claimed
EP-1418921-B1 ANTI-TUMOUR 2-ALKOXYESTRADIOL SULFAMATES STERIX LTD (GB) 2007-10-03 EP disclosed