SCHEMBL11841890

SCHEMBL11841890

CCOC(=O)C(Cl)c1ccc(-c2ccccc2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CDC7 O00311 1/20 0.39
▸ DBF4 Q9UBU7 1/20 0.39
▸ MMP8 P22894 1/20 0.38
▸ PIN1 Q13526 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 2/20 0.38

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 0.87 PPARG (0.45) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL11836185 0.86 GRM6 (0.42) ALDH1A1KDM4EHPGDCDC7DBF4
SCHEMBL11844271 0.86 MMP8 (0.38) ALDH1A1KDM4ETSHRHPGDMAPK1
SCHEMBL11836053 0.84 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL11839973 0.84 MMP8 (0.40) ALDH1A1KDM4ETSHRHPGDHSD17B10
SCHEMBL11846829 0.84 MEN1 (0.38) ALDH1A1KDM4ETSHRHPGDMAPK1
SCHEMBL11849305 0.84 GRIA4 (0.46) ALDH1A1TSHRHPGDSMN1; SMN2MEN1
SCHEMBL27915165 0.84 TSHR (0.43) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL11836617 0.84 CA12 (0.42) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL11839187 0.83 PPARG (0.46) ALDH1A1KDM4EHPGDHSD17B10MAPK1

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 1 patent. 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
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