SCHEMBL11831586

SCHEMBL11831586

CC(C)(C)C1CCc2c(cc(-c3ccccc3)n2-c2ccc(O)c(C(=O)O)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 1/20 0.51
▸ SERPINE1 P05121 1/20 0.49
▸ MAPT P10636 13/20 0.48
▸ TP53 P04637 9/20 0.48
▸ THRB P10828 3/20 0.46
▸ LMNA P02545 5/20 0.45
▸ PKM P14618 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ DHFR P00374 1/20 0.37
▸ HNF4A P41235 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ ACMSD Q8TDX5 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
SCHEMBL2984879 0.84 MAPT (0.52) MYCSERPINE1MAPTTP53THRB
SCHEMBL13240626 0.82 MAPT (0.46) MYCSERPINE1MAPTTP53THRB
SCHEMBL2992714 0.80 MAPT (0.47) SERPINE1MAPTTP53THRBLMNA
SCHEMBL11696697 0.80 MAPT (0.57) MYCSERPINE1MAPTTP53THRB
SCHEMBL11834489 0.80 SERPINE1 (0.57) MYCSERPINE1MAPTTP53THRB
SCHEMBL11841289 0.79 MAPT (0.58) MYCSERPINE1MAPTTP53THRB
SCHEMBL2991459 0.78 MAPT (0.53) MAPTTP53THRBLMNAPKM
SCHEMBL2988545 0.78 MAPT (0.47) MAPTTP53THRBLMNAKDM4E
SCHEMBL2999476 0.77 MAPT (0.42) SERPINE1MAPTTP53THRBLMNA
SCHEMBL12091683 0.76 KDM4E (0.49) MYCSERPINE1MAPTTP53THRB

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-3931407-A ANTIINFLAMMATORY, ANALGESIC AMERICAN HOECHST CORPORATION (US) 1976-01-06 — — US disclosed
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