SCHEMBL9713684

SCHEMBL9713684

CSc1cc(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.57
HTT P42858 4/20 0.44
MAPT P10636 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 2/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
PTGS2 P35354 5/20 0.35
TOP1 P11387 2/20 0.35
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NLRP3 Q96P20 1/20 0.34

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
SCHEMBL9713468 0.85 ABCB11 (0.53) ABCB11HTTMAPTMEN1KMT2A
SCHEMBL9713703 0.83 ABCB11 (0.51) ABCB11HTTMAPTMEN1KMT2A
SCHEMBL30227043 0.81 ABCB11 (0.48) ABCB11MAPTMEN1KMT2ALMNA
SCHEMBL9629306 0.80 ABCB11 (0.68) ABCB11HTTMAPTMEN1KMT2A
SCHEMBL10502581 0.80 ABCB11 (0.68) ABCB11HTTMAPTMEN1KMT2A
SCHEMBL9714031 0.80 PTGS2 (0.58) ABCB11HTTLMNAHPGDNPSR1
SCHEMBL9713667 0.78 ABCB11 (0.65) ABCB11HTTMAPTMEN1KMT2A
SCHEMBL9627379 0.77 ABCB11 (0.68) ABCB11HTTMAPTMEN1KMT2A
SCHEMBL9628176 0.77 ABCB11 (0.56) ABCB11HTTMAPTMEN1KMT2A
SCHEMBL9713732 0.77 ABCB11 (0.56) ABCB11HTTMAPTMEN1KMT2A

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