SCHEMBL9713797

SCHEMBL9713797

CCC1=C(O)C(=O)c2ccc(Cl)cc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.50
HSP90AA1 P07900 3/20 0.47
XIAP P98170 1/20 0.40
USP8 P40818 2/20 0.39
USP7 Q93009 2/20 0.39
USP47 Q96K76 1/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
PPOX P50336 1/20 0.38
ESR1 P03372 1/20 0.37
MAOA P21397 1/20 0.37
UGT1A1 P22309 1/20 0.37
MAOB P27338 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL3279172 0.82 S100A4 (0.67) S100A4HSP90AA1USP8USP7USP47
SCHEMBL8993532 0.81 MAOA (0.53) XIAPUSP8USP7MAPTALDH1A1
SCHEMBL18992129 0.80 DHODH (0.55) S100A4HSP90AA1USP8USP7USP47
SCHEMBL8781044 0.78 APAF1 (0.60) S100A4XIAPMAPTALDH1A1LMNA
SCHEMBL9713806 0.78 S100A4 (0.50) S100A4HSP90AA1MAPTALDH1A1LMNA
SCHEMBL23271795 0.77 S100A4 (0.55) S100A4HSP90AA1USP8USP7USP47
SCHEMBL8993506 0.77 S100A4 (0.55) S100A4HSP90AA1USP8USP7USP47
SCHEMBL9714008 0.77 XIAP (0.46) XIAPMAPTALDH1A1LMNANPC1
SCHEMBL9627527 0.73 S100A4 (0.50) S100A4HSP90AA1USP8USP7USP47
SCHEMBL9627459 0.73 S100A4 (0.50) S100A4HSP90AA1USP8USP7USP47

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