SCHEMBL9628613

SCHEMBL9628613

COC1=C(C)C(=O)c2cccc(C)c2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.62
CDC25B P30305 2/20 0.62
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAP2K7 O14733 1/20 0.47
GMNN O75496 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47

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 0.90 ALDH1A1 (0.59) CDC25ACDC25BALDH1A1MAPTRAB9A
SCHEMBL29165241 0.90 ALDH1A1 (0.59) CDC25ACDC25BALDH1A1MAPTRAB9A
SCHEMBL2265203 0.84 CA1 (0.47) CDC25ACDC25BALDH1A1RAB9ASMN1; SMN2
SCHEMBL9628329 0.83 ALDH1A1 (0.60) CDC25ACDC25BALDH1A1MAPTRAB9A
SCHEMBL9627624 0.81 CDC25A (0.41) CDC25ACDC25BALDH1A1MAPTRAB9A
SCHEMBL1688847 0.81 ALDH1A1 (0.55) ALDH1A1MAPTRAB9ASMN1; SMN2TDP1
SCHEMBL9643388 0.80 ALDH1A1 (0.47) CDC25ACDC25BALDH1A1MAPTRAB9A
SCHEMBL6263082 0.79 CA1 (0.47) CDC25ACDC25BALDH1A1RAB9ASMN1; SMN2
SCHEMBL12258322 0.79 ALDH1A1 (0.54) CDC25BALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL18059577 0.78 ALDH1A1 (0.46) CDC25ACDC25BALDH1A1RAB9ASMN1; SMN2

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