SCHEMBL9713867

SCHEMBL9713867

CCC1=C(OC)C(=O)c2cc(C)c(C)cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.41
CDC25B P30305 2/20 0.41
ALDH1A1 P00352 8/20 0.41
MAPT P10636 8/20 0.41
LMNA P02545 5/20 0.41
TDP1 Q9NUW8 5/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 4/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 2/20 0.41
MAP2K7 O14733 1/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5807365 0.82 ALDH1A1 (0.58) CDC25ACDC25BALDH1A1MAPTLMNA
SCHEMBL9628254 0.81 MAPT (0.65) CDC25ACDC25BALDH1A1MAPTLMNA
SCHEMBL9629320 0.80 PPARG (0.48) CDC25ACDC25BALDH1A1MAPTLMNA
SCHEMBL9627431 0.78 CDC25A (0.65) CDC25ACDC25BALDH1A1MAPTLMNA
SCHEMBL571497 0.76 NQO1 (0.43) CDC25ACDC25BALDH1A1MAPTLMNA
SCHEMBL9627624 0.76 CDC25A (0.41) CDC25ACDC25BALDH1A1MAPTLMNA
SCHEMBL9714008 0.73 XIAP (0.46) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL14407301 0.72 MAPT (0.55) CDC25ACDC25BALDH1A1MAPTLMNA
SCHEMBL9677785 0.72 CDC25A (0.42) CDC25ACDC25BALDH1A1MAPTLMNA
SCHEMBL571247 0.70 MALT1 (0.41) CDC25ACDC25BALDH1A1KDM4ECYP3A4

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