SCHEMBL8771758

SCHEMBL8771758

COC(=O)c1ccc(COc2ccc3c(c2)C(=O)CC3(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NPC1 O15118 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
AR P10275 1/20 0.48
CYP3A4 P08684 4/20 0.48
KCNH2 Q12809 1/20 0.47
PTPN7 P35236 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
CYP26A1 O43174 2/20 0.45

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
SCHEMBL803657 0.81 PDK2 (0.47) SMN1; SMN2MAPTLMNANPSR1MEN1
SCHEMBL8771839 0.76 PTPN1 (0.52) RAB9AMAPTLMNANPSR1NPC1
SCHEMBL8771845 0.76 PTPN1 (0.52) RAB9AMAPTLMNANPSR1NPC1
SCHEMBL10236929 0.75 RAB9A (0.82) RAB9ASMN1; SMN2MAPTLMNANPC1
SCHEMBL11350421 0.75 RAB9A (0.82) RAB9ASMN1; SMN2MAPTLMNANPC1
SCHEMBL20798188 0.75 MAOA (0.59) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL8771810 0.74 KMT2A (0.48) RAB9ASMN1; SMN2MAPTLMNANPC1
SCHEMBL5090826 0.74 MAPT (0.62) RAB9ASMN1; SMN2MAPTLMNANPC1
SCHEMBL22500122 0.74 MAOA (0.70) RAB9ASMN1; SMN2MAPTNPC1MAOB
SCHEMBL3729907 0.72 NPC1 (0.75) RAB9ASMN1; SMN2MAPTLMNANPC1

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-0661259-B1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL MYERS SQUIBB CO (US) 1997-10-08 EP disclosed
US-5648385-A TREATING RHEUMATOID ARTHRITIS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-15 US disclosed
US-5618839-A Retinoid-like compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 US disclosed
EP-0661259-A1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-05 EP disclosed