SCHEMBL9629345

SCHEMBL9629345

CCOc1cc(O)c2c(-c3ccccc3)cccc2c1OC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GLA P06280 1/20 0.40
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HPGD P15428 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.38
PDE10A Q9Y233 2/20 0.38
GUSB P08236 2/20 0.38
HTT P42858 3/20 0.36

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
SCHEMBL9627702 0.83 CTSV (0.40) KDM4EMAPTADORA3TSHRMAPK1
SCHEMBL9628188 0.82 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4EMAPTNPSR1
SCHEMBL9656748 0.80 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4EMAPTNPSR1
SCHEMBL9629278 0.78 BACE1 (0.46) ALDH1A1L3MBTL1KDM4EMAPTNPSR1
SCHEMBL9629350 0.78 SLC2A1 (0.42) ALDH1A1L3MBTL1KDM4EMAPTNPSR1
SCHEMBL9627373 0.77 ELANE (0.44) ALDH1A1L3MBTL1GLACYP3A4TSHR
SCHEMBL9627929 0.75 BACE1 (0.50) ALDH1A1L3MBTL1KDM4EMAPTADORA3
SCHEMBL16300499 0.73 ELANE (0.47) L3MBTL1TDP1CYP2C9CYP2C19MEN1
SCHEMBL9629403 0.72 SLC2A1 (0.45) ALDH1A1L3MBTL1MAPTGLACYP3A4
SCHEMBL9642036 0.70 ELANE (0.42) L3MBTL1GLACYP1A2CYP2D6

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-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282056-A2 Naphthalene 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