SCHEMBL9713619

SCHEMBL9713619

CCCC(C)Oc1cc(OC(C)=O)c2c(Cl)cccc2c1OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.37
DHODH Q02127 6/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
KDM4E B2RXH2 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX12 P18054 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

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
SCHEMBL9642340 0.84 CCNB2 (0.38) HTTDHODHCCNB2CCNE2CDK1
SCHEMBL9627986 0.83 HTT (0.55) HTTDHODHCCNB2CCNE2CDK1
SCHEMBL9641991 0.81 HTT (0.34) HTTKDM4ETDP1GAAMAPT
SCHEMBL9641878 0.81 CCNB2 (0.36) HTTCCNB2CCNE2CDK1CCNB1
SCHEMBL9714040 0.80 HTT (0.37) HTTKDM4ETDP1GAAMAPT
SCHEMBL9713618 0.80 CNR1 (0.40) HTTKDM4ETDP1MAPTCYP3A4
SCHEMBL9629327 0.80 HTT (0.44) HTTKDM4ETDP1GAAMAPT
SCHEMBL9643140 0.79 CCNB2 (0.35) HTTCCNB2CCNE2CDK1CCNB1
SCHEMBL9643113 0.79 CCNB2 (0.35) HTTCCNB2CCNE2CDK1CCNB1
SCHEMBL9643518 0.79 CCNB2 (0.36) HTTCCNB2CCNE2CDK1CCNB1

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