SCHEMBL9629311

SCHEMBL9629311

CC(=O)Oc1cc(Oc2ccc(Cl)cc2Cl)c(OC(C)=O)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
ABCB11 O95342 1/20 0.47
ESRRA P11474 4/20 0.46
CHRM1 P11229 1/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
TTR P02766 3/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A3 Q01959 3/20 0.43
NR1I2 O75469 1/20 0.43
PGR P06401 1/20 0.43

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
SCHEMBL9629407 0.84 HTT (0.57) HTTABCB11ESRRAMAPTHPGD
SCHEMBL1037978 0.82 CHRM1 (0.57) ESRRACHRM1MAPTHPGDMEN1
SCHEMBL7918996 0.80 HTT (0.75) HTTABCB11MAPTHPGDKMT2A
SCHEMBL9713245 0.80 ABCB11 (0.53) HTTABCB11MAPTHPGDMEN1
SCHEMBL2040582 0.79 TTR (0.56) CHRM1MAPTHPGDKMT2ALMNA
SCHEMBL9628204 0.78 HTT (0.63) HTTMAPTHPGDKDM4ELMNA
SCHEMBL9713667 0.78 ABCB11 (0.65) HTTABCB11MAPTHPGDMEN1
SCHEMBL134715 0.77 KMT2A (0.57) ABCB11MAPTHPGDMEN1KMT2A
SCHEMBL9713732 0.76 ABCB11 (0.56) HTTABCB11MAPTHPGDMEN1
SCHEMBL9627465 0.76 HTT (0.69) HTTABCB11MAPTHPGDMEN1

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