SCHEMBL9643262

SCHEMBL9643262

CCCCCC(=O)Oc1c(OCC)c(OCC)c(OC(=O)CC)c2cc(Cl)ccc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.44
ALOX15 P16050 5/20 0.41
TOP2A P11388 1/20 0.39
EPHX2 P34913 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MAPT P10636 1/20 0.36
BACE1 P56817 1/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL9643429 1.00 ABCB11 (0.44) ABCB11ALOX15TOP2AEPHX2L3MBTL1
SCHEMBL9643143 0.92 ABCB11 (0.43) ABCB11ALOX15EPHX2L3MBTL1ALDH1A1
SCHEMBL9642923 0.92 ABCB11 (0.43) ABCB11ALOX15EPHX2L3MBTL1ALDH1A1
SCHEMBL9449155 0.90 ABCB11 (0.52) ABCB11ALOX15ALDH1A1GLAMAPK1
SCHEMBL9643614 0.84 ABCB11 (0.45) ABCB11ALOX15EPHX2L3MBTL1ALDH1A1
SCHEMBL9642038 0.84 ABCB11 (0.45) ABCB11ALOX15EPHX2L3MBTL1ALDH1A1
SCHEMBL9641843 0.84 ABCB11 (0.41) ABCB11ALOX15EPHX2ALDH1A1TDP1
SCHEMBL9644053 0.84 ABCB11 (0.41) ABCB11ALOX15EPHX2ALDH1A1TDP1
SCHEMBL9642233 0.84 ABCB11 (0.60) ABCB11ALOX15TOP2AEPHX2PSEN1
SCHEMBL9642996 0.83 L3MBTL1 (0.44) ALOX15TOP2AL3MBTL1ALDH1A1PSEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215622-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS AND PROCESS FOR MAKING THEM SYNTEX (U.S.A.) INC. (US) 1992-06-17 EP disclosed
US-4946845-A STABLE ANTIINFLAMMATORY AGENTS, LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1990-08-07 US disclosed
US-4792556-A LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0215622-A2 Naphthalene anti-psoriatic agents and process for making them SYNTEX (U.S.A.) INC. (US) 1987-03-25 EP disclosed