SCHEMBL11836053

SCHEMBL11836053

CCOC(=O)C(Cl)c1ccc(-c2ccccc2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ MMP8 P22894 1/20 0.40
▸ PRKCZ Q05513 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ KDM4E B2RXH2 2/20 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
SCHEMBL11837622 0.86 PPARG (0.45) ALDH1A1MMP8SMN1; SMN2MEN1NPC1
SCHEMBL11836694 0.84 ALDH1A1 (0.45) ALDH1A1HSD17B10MMP8PRKCZHDAC3
SCHEMBL11841890 0.84 ALDH1A1 (0.41) ALDH1A1HSD17B10MMP8SMN1; SMN2MEN1
SCHEMBL11836185 0.84 GRM6 (0.42) ALDH1A1MMP8SMN1; SMN2MEN1KMT2A
SCHEMBL11844271 0.84 MMP8 (0.38) ALDH1A1MMP8SMN1; SMN2MEN1NPC1
SCHEMBL11849305 0.83 GRIA4 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL11839973 0.83 MMP8 (0.40) ALDH1A1HSD17B10MMP8SMN1; SMN2MEN1
SCHEMBL11846829 0.83 MEN1 (0.38) ALDH1A1MMP8SMN1; SMN2MEN1NPC1
SCHEMBL11839187 0.82 PPARG (0.46) ALDH1A1HSD17B10SMN1; SMN2MEN1NPC1
SCHEMBL11850461 0.82 PTGS2 (0.47) ALDH1A1MMP8SMN1; SMN2MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3941821-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETICS WILLIAM H. RORER, INC. (US) 1976-03-02 — — US disclosed
US-RE28698-E Electrophotographic material containing sensitizers MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JA) 1976-01-27 — — US disclosed
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