SCHEMBL9714040

SCHEMBL9714040

CC(=O)Oc1c(OCCCC(C)C)cc(OC(C)=O)c2c(Cl)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.37
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX12 P18054 1/20 0.37
PTPN1 P18031 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPIA P62937 1/20 0.34
MCL1 Q07820 3/20 0.33

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
SCHEMBL9713618 0.86 CNR1 (0.40) HTTKDM4ETDP1CYP3A4ALOX12
SCHEMBL9713918 0.85 CNR1 (0.41) CYP3A4MAPTKMT2ALMNA
SCHEMBL9641988 0.84 KDM4E (0.34) HTTKDM4ETDP1CYP3A4ALOX12
SCHEMBL9642578 0.81 NFKB1 (0.33) HTTKDM4ETDP1CYP3A4ALOX12
SCHEMBL9714046 0.80 KDM4E (0.34) HTTKDM4ETDP1CYP3A4ALOX12
SCHEMBL9713619 0.80 HTT (0.37) HTTKDM4ETDP1CYP3A4ALOX12
SCHEMBL9629327 0.80 HTT (0.44) HTTKDM4ETDP1CYP3A4ALOX12
SCHEMBL9641991 0.79 HTT (0.34) HTTKDM4ETDP1CYP3A4ALOX12
SCHEMBL9642520 0.79 NFKB1 (0.33) HTTKDM4ETDP1CYP3A4ALOX12
SCHEMBL9643461 0.77 CCNB2 (0.35) KDM4ETDP1CYP3A4ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed