SCHEMBL11345490

SCHEMBL11345490

CC(C)(C)c1ccc(O)c(C(=O)CCl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.58
HSP90AB1 P08238 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
KCNH2 Q12809 1/20 0.55
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
PLG P00747 2/20 0.49
KLK1 P06870 2/20 0.49
KLK6 Q92876 2/20 0.49
KLKB1 P03952 1/20 0.49
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL11288797 0.84 HSP90AB1 (0.64) HSP90AA1HSP90AB1SMN1; SMN2LMNAHTT
SCHEMBL9867738 0.84 HSP90AA1 (0.59) HSP90AA1HSP90AB1SMN1; SMN2LMNAHTT
SCHEMBL11343595 0.81 HSP90AA1 (0.65) HSP90AA1HSP90AB1SMN1; SMN2LMNAHTT
SCHEMBL10933923 0.80 HSP90AA1 (0.58) HSP90AA1HSP90AB1SMN1; SMN2LMNAHTT
SCHEMBL432204 0.80 HSP90AA1 (0.58) HSP90AA1HSP90AB1SMN1; SMN2LMNAHTT
SCHEMBL11340585 0.80 HSP90AA1 (0.59) HSP90AA1HSP90AB1SMN1; SMN2LMNAHTT
SCHEMBL11347012 0.79 HSP90AA1 (0.57) HSP90AA1HSP90AB1SMN1; SMN2LMNAHTT
SCHEMBL11295395 0.79 HSP90AA1 (0.57) HSP90AA1HSP90AB1SMN1; SMN2LMNAHTT
SCHEMBL10488407 0.79 LMNA (0.79) HSP90AA1HSP90AB1SMN1; SMN2LMNAHTT
SCHEMBL11346040 0.79 HSP90AA1 (0.61) HSP90AA1HSP90AB1SMN1; SMN2LMNAHTT

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-4245099-A ANTIINFLAMMATORY, ANALGESIC, DIURETIC, ANTIPYRETIC AND HYPOTENSIVE AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1981-01-13 US disclosed