SCHEMBL9644013

SCHEMBL9644013

CCCCCCC(=O)Oc1c(OCCC)c(OCCC)c(OC(=O)C(C)C)c2cc(Cl)ccc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
ABCB11 O95342 1/20 0.39
PSEN1 P49768 4/20 0.39
PSEN2 P49810 4/20 0.39
APH1B Q8WW43 4/20 0.39
NCSTN Q92542 4/20 0.39
APH1A Q96BI3 4/20 0.39
PSENEN Q9NZ42 4/20 0.39
ALOX15 P16050 5/20 0.39
EPHX2 P34913 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 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
SCHEMBL9643775 1.00 ELANE (0.39) ELANEABCB11PSEN1PSEN2APH1B
SCHEMBL9643146 0.89 ABCB11 (0.52) ELANEABCB11PSEN1PSEN2APH1B
SCHEMBL9641664 0.89 ABCB11 (0.52) ELANEABCB11PSEN1PSEN2APH1B
SCHEMBL9641698 0.89 ABCB11 (0.48) ABCB11PSEN1PSEN2APH1BNCSTN
SCHEMBL9643143 0.88 ABCB11 (0.43) ABCB11ALOX15EPHX2MAPTALDH1A1
SCHEMBL9642923 0.88 ABCB11 (0.43) ABCB11ALOX15EPHX2MAPTALDH1A1
SCHEMBL9642795 0.88 ABCB11 (0.47) ABCB11PSEN1PSEN2APH1BNCSTN
SCHEMBL9642049 0.88 ABCB11 (0.47) ABCB11PSEN1PSEN2APH1BNCSTN
SCHEMBL9642131 0.84 ABCB11 (0.40) ABCB11PSEN1PSEN2APH1BNCSTN
SCHEMBL9643888 0.84 ABCB11 (0.40) ABCB11PSEN1PSEN2APH1BNCSTN

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