SCHEMBL11065152

SCHEMBL11065152

CCC(=O)c1cc(CC)cc(N)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.41
HMGCR P04035 1/20 0.39
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
UBE2N P61088 1/20 0.37
ALDH1A1 P00352 5/20 0.37
GAA P10253 4/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
PTGS1 P23219 1/20 0.36
DRD3 P35462 1/20 0.36
POLB P06746 1/20 0.35
CDC25B P30305 1/20 0.33
CASP6 P55212 1/20 0.33
RCE1 Q9Y256 1/20 0.33

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
SCHEMBL11070696 0.86 TSHR (0.47) HMGCRHSD17B10KDM4EMAPTALDH1A1
SCHEMBL11067893 0.84 HSD17B1 (0.41) HSD17B10KDM4EMAPTALDH1A1GAA
SCHEMBL11556619 0.80 HMGB1 (0.49) HSP90AB1HMGCRHSD17B10KDM4EMAPT
SCHEMBL11065292 0.80 ALDH1A1 (0.48) HSP90AB1HMGCRHSD17B10KDM4EMAPT
SCHEMBL11285000 0.79 HSP90AB1 (0.41) HSP90AB1HMGCRHSD17B10KDM4EMAPT
SCHEMBL11296661 0.79 CYP3A4 (0.50) HSP90AB1HMGCRHSD17B10KDM4EMAPT
SCHEMBL11289196 0.77 MEN1 (0.45) HSD17B10KDM4EMAPTALDH1A1GAA
SCHEMBL9559795 0.76 HSP90AB1 (0.46) HSP90AB1HMGCRHSD17B10KDM4EMAPT
SCHEMBL9041416 0.76 ALDH1A1 (0.53) HSP90AB1HMGCRHSD17B10KDM4EMAPT
SCHEMBL10322111 0.76 MEN1 (0.41) HSP90AB1HMGCRHSD17B10KDM4EMAPT

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-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 US disclosed