SCHEMBL9539720

SCHEMBL9539720

BrCc1ccc(OCCOCCOc2ccc(CBr)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
CASP1 P29466 1/20 0.45
KMT2A Q03164 1/20 0.45
SLCO1B3 Q9NPD5 1/20 0.45
SLCO1B1 Q9Y6L6 1/20 0.45
TSHR P16473 2/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1573293 1.00 APP (0.47) APPSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL9705589 0.93 TRPA1 (0.43) ALDH1A1TSHRTRPA1
SCHEMBL3097354 0.90 KDM4E (0.50) APPSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL9828836 0.90 LMNA (0.50) APPSMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL9541070 0.88 THRA (0.45) APPSMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL9705573 0.86 KCNA3 (0.50) L3MBTL1
SCHEMBL4086993 0.84 TRPA1 (0.40) SMN1; SMN2NPC1MAPTRAB9AALDH1A1
SCHEMBL9705568 0.84 KCNA3 (0.48)
SCHEMBL10614694 0.84 KCNA3 (0.48)
SCHEMBL9539656 0.84 KCNA3 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0228803-B1 IONENE ELASTOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-09-16 EP claimed
US-4677182-A COATINGS, ADHESIVES MINNESOTA MINING AND MANUFACTURING CO. (US) 1987-06-30 US claimed
WO-1993005028-A1 RECEPTOR COMPOUNDS BASED ON 1,7-DIOXA-4,10-DIAZACYCLODODECANE SCIMAT LIMITED (GB) 1993-03-18 WO disclosed
EP-0228803-B1 IONENE ELASTOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-09-16 EP disclosed
US-4794031-A POLYMERIC DIAMINES, DIHALIDE LINKING AGENTS, POLYETHERS, ACRYLIC COPOLYMERS, ENCAPPING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-12-27 US disclosed
US-4734458-A QUATERNIZED POLYAMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-03-29 US disclosed
EP-0228803-A2 Ionene elastomers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-07-15 EP disclosed
US-4677182-A COATINGS, ADHESIVES MINNESOTA MINING AND MANUFACTURING CO. (US) 1987-06-30 US disclosed