SCHEMBL11837622

SCHEMBL11837622

CCOC(=O)C(Cl)c1ccc(-c2ccccc2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ MCL1 Q07820 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ PIN1 Q13526 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL11836185 0.87 GRM6 (0.42) MMP8SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL11844271 0.87 MMP8 (0.38) TDP1MMP8PIN1SMN1; SMN2MEN1
SCHEMBL11841890 0.87 ALDH1A1 (0.41) TDP1CA12CA1CA2CA9
SCHEMBL11839973 0.86 MMP8 (0.40) TDP1MMP8PIN1SMN1; SMN2MEN1
SCHEMBL11836053 0.86 ALDH1A1 (0.44) TDP1MMP8PIN1SMN1; SMN2MEN1
SCHEMBL11846829 0.86 MEN1 (0.38) PPARGPPARATDP1MMP8PIN1
SCHEMBL11849305 0.86 GRIA4 (0.46) PPARGPPARASMN1; SMN2MEN1KMT2A
SCHEMBL11839187 0.85 PPARG (0.46) PPARGPPARATDP1SMN1; SMN2MEN1
SCHEMBL11850461 0.84 PTGS2 (0.47) MMP8PIN1SMN1; SMN2MEN1NPC1
SCHEMBL11835254 0.84 PPARG (0.46) PPARGPPARASLC1A3SLC1A2SLC1A1

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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