SCHEMBL9628545

SCHEMBL9628545

CCOc1ccc2c(OC(C)=O)c(OC)c(C)c(OC(C)=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.51
KDM4E B2RXH2 10/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 8/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 5/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
TP53 P04637 2/20 0.37

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
SCHEMBL9627800 0.90 ABCB11 (0.43) ABCB11KDM4EMEN1KMT2AALDH1A1
SCHEMBL9628139 0.90 ABCB11 (0.46) ABCB11KDM4EMEN1KMT2AALDH1A1
SCHEMBL9627496 0.84 CASP3 (0.48) ABCB11KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL9627547 0.80 ABCB11 (0.59) ABCB11KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9628112 0.79 TUBB4A (0.45) ABCB11KDM4EMEN1KMT2AALDH1A1
SCHEMBL9642665 0.78 ABCB11 (0.69) ABCB11KDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL9629374 0.78 ABCB11 (0.83) ABCB11KDM4EHPGDHSD17B10CYP1A2
SCHEMBL9629451 0.77 KDM4E (0.54) ABCB11KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL9629353 0.77 ABCB11 (0.53) ABCB11KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL9628321 0.76 KDM4E (0.50) ABCB11KDM4EMEN1KMT2AALDH1A1

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