SCHEMBL9628201

SCHEMBL9628201

CC(C)C1=CC(=O)c2c(cccc2-c2ccccc2)C1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.55
EPAS1 Q99814 3/20 0.55
PTPN1 P18031 3/20 0.54
CDC25B P30305 5/20 0.47
CDC25A P30304 4/20 0.47
BACE1 P56817 3/20 0.45
PTPRC P08575 1/20 0.42
PTPRF P10586 1/20 0.42
MAPK1 P28482 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
HSPD1 P10809 2/20 0.38
HPGD P15428 2/20 0.38
BLM P54132 2/20 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
SCHEMBL30038980 0.79 PTPN1 (0.70) HIF1AEPAS1PTPN1CDC25BCDC25A
SCHEMBL9627646 0.79 PTPN1 (0.70) HIF1AEPAS1PTPN1CDC25BCDC25A
SCHEMBL9628563 0.75 BACE1 (0.49) PTPN1CDC25BCDC25ABACE1PTPRC
SCHEMBL9627964 0.74 CDC25A (0.62) HIF1APTPN1CDC25BCDC25ABACE1
SCHEMBL16491897 0.73 MEN1 (0.55) PTPN1CDC25BBACE1PTPRCPTPRF
SCHEMBL1038974 0.73 ADORA2A (0.57) CDC25BPTPRCMAPK1MEN1KMT2A
SCHEMBL11424452 0.72 HDAC4 (0.52) CDC25BBACE1PTPRCMAPK1MEN1
SCHEMBL22187708 0.72 MEN1 (0.52) PTPN1CDC25BBACE1PTPRCPTPRF
Ammonia Solution, Strong SCHEMBL27523091 0.71 ADORA2A (0.55) CDC25BPTPRCMAPK1MEN1KMT2A
SCHEMBL17969793 0.71 CDC25B (0.60) HIF1AEPAS1PTPN1CDC25BCDC25A

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-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282006-A1 Naphtalene 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