SCHEMBL8771855

SCHEMBL8771855

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
CYP3A4 P08684 4/20 0.41
KCNH2 Q12809 1/20 0.41
PTPN7 P35236 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38

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
SCHEMBL8771676 0.85 PDK2 (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDPKM
SCHEMBL8771810 0.77 KMT2A (0.48) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL17276324 0.76 PDK2 (0.40) RAB9ANPC1MAPTSMN1; SMN2CYP3A4
SCHEMBL9939093 0.73 PTPN7 (0.50) ARRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6234971 0.72 PDK2 (0.38) RAB9ANPC1SMN1; SMN2KMT2ACYP3A4
SCHEMBL1928327 0.71 STS (0.65) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL31530189 0.71 RAB9A (0.64) ARRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL89330 0.71 LMNA (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL22721357 0.71 MRGPRX4 (0.71) ARRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL8771758 0.70 RAB9A (0.53) ARRAB9ANPC1MAPTSMN1; SMN2

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