SCHEMBL7775902

SCHEMBL7775902

Oc1ccc(-c2cc(OCc3ccccc3)ccc2Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
LMNA P02545 1/20 0.60
PTGS1 P23219 1/20 0.60
SLC6A2 P23975 1/20 0.60
CYP2C19 P33261 1/20 0.60
PTGS2 P35354 1/20 0.60
SLC6A3 Q01959 1/20 0.60
HIF1A Q16665 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
GSTP1 P09211 2/20 0.55
BACE1 P56817 2/20 0.52
GAA P10253 4/20 0.51
MGAM O43451 2/20 0.51
SI P14410 2/20 0.51
MGAM2 Q2M2H8 2/20 0.51
MAOB P27338 3/20 0.50
MAPT P10636 5/20 0.49
NPSR1 Q6W5P4 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 2/20 0.49

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
SCHEMBL28052026 0.92 GSTP1 (0.64) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL7685716 0.87 MAOB (0.56) LMNAGSTP1BACE1GAAMGAM
SCHEMBL31069846 0.81 LMNA (0.67) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL281986 0.81 LMNA (0.67) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL26835446 0.79 MAOB (0.52) GSTP1MAOBTOP1ALOX5MAOA
SCHEMBL50524 0.79 CYP1A2 (0.55) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL27676435 0.79 LMNA (0.55) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL16507010 0.79 CYP1A2 (0.55) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL254671 0.79 LMNA (0.88) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL8668267 0.79 LMNA (0.59) CYP1A2LMNAPTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121125-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2001-08-08 EP claimed
WO-2000021535-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2000-04-20 WO claimed
EP-1121125-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2001-08-08 EP disclosed
WO-2000021535-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2000-04-20 WO disclosed