SCHEMBL9627624

SCHEMBL9627624

CCC1=C(OC)C(=O)c2c(C)cccc2C1=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 7/20 0.40
MAPT P10636 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
RAB9A P51151 5/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAP2K7 O14733 1/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL30738551 0.83 ALDH1A1 (0.59) CDC25ACDC25BALDH1A1MAPTSMN1; SMN2
SCHEMBL29165241 0.83 ALDH1A1 (0.59) CDC25ACDC25BALDH1A1MAPTSMN1; SMN2
SCHEMBL9629324 0.83 MAPT (0.39) CDC25ACDC25BALDH1A1MAPTSMN1; SMN2
SCHEMBL9628246 0.83 AR (0.42)
SCHEMBL9628613 0.81 CDC25A (0.62) CDC25ACDC25BALDH1A1MAPTSMN1; SMN2
SCHEMBL9628254 0.79 MAPT (0.65) CDC25ACDC25BALDH1A1MAPTSMN1; SMN2
SCHEMBL9629385 0.79 FGFR1 (0.38) ALDH1A1MAPTSMN1; SMN2RAB9ALMNA
SCHEMBL9713867 0.76 CDC25A (0.41) CDC25ACDC25BALDH1A1MAPTSMN1; SMN2
SCHEMBL1688847 0.74 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2RAB9ALMNA
SCHEMBL13168835 0.74 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2RAB9ALMNA

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 7 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-5134161-A Enzyme inhibitors for skin disorders, antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-07-28 US disclosed
US-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed
US-4786652-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1988-11-22 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