SCHEMBL9713690

SCHEMBL9713690

COC1=CC(=O)c2cc(OCC(C)C)ccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.51
CDC25A P30304 1/20 0.51
CDC25B P30305 1/20 0.51
GAPDH P04406 1/20 0.45
PTPN1 P18031 2/20 0.41
NSD2 O96028 3/20 0.40
TDP2 O95551 2/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
PAX8 Q06710 2/20 0.38
HKDC1 Q2TB90 2/20 0.38
PDK2 Q15119 1/20 0.38
XDH P47989 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
TRIM24 O15164 1/20 0.38

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
SCHEMBL9628193 0.85 CDC25B (0.54) IDO1CDC25ACDC25BGAPDHPTPN1
SCHEMBL5822222 0.83 IDO1 (0.62) IDO1CDC25ACDC25BGAPDHPTPN1
SCHEMBL30003084 0.83 IDO1 (0.62) IDO1CDC25ACDC25BGAPDHPTPN1
SCHEMBL9713700 0.81 PDK2 (0.39) MAPTKDM4EALDH1A1NPSR1RXFP1
SCHEMBL9642322 0.79 MAPT (0.48) CDC25ACDC25BMAPTKDM4EALDH1A1
SCHEMBL9713957 0.78 MAOB (0.55) IDO1CDC25ACDC25BGAPDHPTPN1
SCHEMBL5809726 0.77 IDO1 (0.62) IDO1CDC25ACDC25BGAPDHPTPN1
SCHEMBL11252090 0.77 CDC25B (0.50) IDO1CDC25ACDC25BGAPDHPTPN1
SCHEMBL9713600 0.76 CDC25B (0.53) IDO1CDC25ACDC25BGAPDHPTPN1
SCHEMBL9629053 0.74 IDO1 (0.59) IDO1CDC25ACDC25BGAPDHPTPN1

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