SCHEMBL9628295

SCHEMBL9628295

COc1cc(OC(=O)Cc2ccccc2)c2ccccc2c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.44
ALOX5 P09917 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
PTGER4 P35408 1/20 0.42

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
SCHEMBL9628298 0.90 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MAPTL3MBTL1ATM
SCHEMBL9629368 0.84 HTT (0.44) SMN1; SMN2ALDH1A1L3MBTL1KDM4ETSHR
SCHEMBL9641650 0.82 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MAPTL3MBTL1ATM
SCHEMBL9660434 0.81 HPGD (0.54) SMN1; SMN2ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL9659120 0.81 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1L3MBTL1HPGDLMNA
SCHEMBL9660313 0.81 KDM4E (0.47) SMN1; SMN2ALDH1A1L3MBTL1KDM4ETSHR
SCHEMBL10698804 0.79 HTT (0.64) SMN1; SMN2ALDH1A1MAPTTDP1KDM4E
SCHEMBL1171372 0.79 L3MBTL1 (0.60) SMN1; SMN2ALDH1A1MAPTL3MBTL1ATM
SCHEMBL30233793 0.79 L3MBTL1 (0.60) SMN1; SMN2ALDH1A1MAPTL3MBTL1ATM
SCHEMBL9629315 0.78 TOP2A (0.48) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19

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