SCHEMBL7971738

SCHEMBL7971738

O=Cc1ccc(OCc2ccccc2Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
PTPN1 P18031 2/20 0.47
PTPRC P08575 1/20 0.47
GSK3B P49841 2/20 0.47
BACE1 P56817 2/20 0.47
NPC1 O15118 1/20 0.44
LCK P06239 1/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
BCHE P06276 1/20 0.44
PPARG P37231 1/20 0.43
AMY1A P0DUB6 1/20 0.43
TSHR P16473 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL7968817 0.88 RAB9A (0.52) RAB9ASMN1; SMN2ALDH1A1KDM4EMAOA
SCHEMBL158270 0.84 RAB9A (0.68) RAB9ASMN1; SMN2ALDH1A1KDM4EMAOA
SCHEMBL865349 0.83 RAB9A (0.71) RAB9ASMN1; SMN2ALDH1A1KDM4EMAOA
SCHEMBL30903806 0.82 ALDH1A1 (0.54) RAB9ASMN1; SMN2ALDH1A1KDM4EMAOA
SCHEMBL498283 0.82 MAOB (0.60) RAB9ASMN1; SMN2ALDH1A1KDM4EMAOB
SCHEMBL6187222 0.80 RAB9A (0.62) RAB9ASMN1; SMN2ALDH1A1KDM4EMAOA
SCHEMBL1222314 0.80 RAB9A (0.62) RAB9ASMN1; SMN2ALDH1A1KDM4EMAOA
SCHEMBL8422956 0.79 NR4A2 (0.60) RAB9ASMN1; SMN2ALDH1A1KDM4EMAOA
SCHEMBL15774723 0.79 ALDH1A1 (0.59) RAB9ASMN1; SMN2ALDH1A1KDM4EMAOB
SCHEMBL2168244 0.79 TSHR (0.60) RAB9ASMN1; SMN2ALDH1A1KDM4EMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6251928-B1 ADMINISTERING BENZYLIDENE RHODANINES WHICH ARE USEFUL AS AGENTS IN TREATING OR PREVENTING CONDITIONS ASSOCIATED WITH BETA-AMYLOID PEPTIDE IN A MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
US-5747517-A ALZHEIMER'S DISEASE; PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 1998-05-05 US disclosed
EP-0677517-A1 Treatment of Alzheimer's disease employing inhibitors of cathepsin D ELI LILLY AND COMPANY (US) 1995-10-18 EP disclosed