SCHEMBL7778474

SCHEMBL7778474

Brc1cc(OCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.59
ALOX5 P09917 1/20 0.58
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
CYP2C19 P33261 1/20 0.52
PTGS2 P35354 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HIF1A Q16665 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAOA P21397 3/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TOP1 P11387 1/20 0.49
PTPN1 P18031 1/20 0.48
LCK P06239 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
SCHEMBL5901973 0.90 MAOB (0.53) MAOBALOX5RAB9ASMN1; SMN2LMNA
SCHEMBL30148511 0.90 MAOB (0.60) MAOBALOX5LMNAHDAC6MAPT
SCHEMBL8184228 0.90 MAOB (0.60) MAOBALOX5LMNAHDAC6MAPT
SCHEMBL18623184 0.90 MAOB (0.60) MAOBRAB9ASMN1; SMN2HDAC6
SCHEMBL3229614 0.89 RAB9A (0.51) MAOBALOX5RAB9ASMN1; SMN2LMNA
SCHEMBL7606123 0.88 MAOB (0.50) MAOBALOX5RAB9ASMN1; SMN2HDAC6
SCHEMBL3238141 0.88 RAB9A (0.53) MAOBALOX5RAB9ASMN1; SMN2LMNA
SCHEMBL24244911 0.87 GSTP1 (0.54) MAOBALOX5RAB9ASMN1; SMN2LMNA
SCHEMBL10469385 0.86 RAB9A (0.49) MAOBALOX5RAB9ASMN1; SMN2LMNA
SCHEMBL9430862 0.86 MAOB (0.53) MAOBALOX5RAB9ASMN1; SMN2LMNA

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-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