SCHEMBL9628306

SCHEMBL9628306

CCOc1cc(OC(C)=O)c2cc(-c3ccccc3)ccc2c1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
BACE1 P56817 4/20 0.42
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
CFD P00746 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
MAOB P27338 1/20 0.39
TSHR P16473 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL9627366 0.86 HTT (0.50) HTTBACE1MAPTCFDTDP1
SCHEMBL9628598 0.85 HTT (0.63) HTTMAPTL3MBTL1MAPK1GAA
SCHEMBL9659384 0.84 HDAC1 (0.41) HTTMAPTRXRARXRBL3MBTL1
SCHEMBL9659356 0.83 HDAC1 (0.43) MAPTRXRARXRBL3MBTL1HDAC1
SCHEMBL9627392 0.83 HTT (0.45) HTTMAPTNPSR1L3MBTL1CFD
SCHEMBL9660596 0.83 HDAC1 (0.41) RXRARXRBL3MBTL1MAPK1HDAC1
SCHEMBL9659470 0.82 HDAC1 (0.42) RXRARXRBL3MBTL1MAPK1HDAC1
SCHEMBL9627507 0.82 HTT (0.48) HTTMAPTNPSR1L3MBTL1GAA
SCHEMBL9628409 0.81 HTT (0.56) HTTBACE1MAPTL3MBTL1MAPK1
SCHEMBL9628176 0.81 ABCB11 (0.56) HTTMAPTNPSR1MAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 US disclosed
US-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed
EP-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 US disclosed