SCHEMBL9259996

SCHEMBL9259996

CC(C)(C)c1cc2c(cc1O)OC=C(C(=O)N1CCCC1)O2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 8/20 0.41
HSP90AB1 P08238 6/20 0.41
YEATS4 O95619 1/20 0.37
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
ATP2A2 P16615 1/20 0.34
ATP2A3 Q93084 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 4/20 0.33
SPR P35270 1/20 0.33
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL9259063 0.99 HSP90AA1 (0.41) HSP90AA1HSP90AB1YEATS4ALDH1A1SMN1; SMN2
SCHEMBL9260914 0.99 HSP90AA1 (0.41) HSP90AA1HSP90AB1YEATS4ALDH1A1SMN1; SMN2
SCHEMBL9262611 0.80 ALDH1A1 (0.39) HSP90AA1HSP90AB1ALDH1A1MAPTNPSR1
SCHEMBL9262528 0.80 ALDH1A1 (0.39) HSP90AA1HSP90AB1ALDH1A1MAPTNPSR1
SCHEMBL9261637 0.80 ALOX15 (0.41) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9259471 0.80 ALOX15 (0.41) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9254765 0.74 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL9258671 0.74 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL9255559 0.70 MAPT (0.40) KDM4EMAPTMEN1HTTKMT2A
SCHEMBL9257311 0.67 LCK (0.42) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT

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-5420132-A Antilipemic agents ADIR ET COMPAGNIE (FR) 1995-05-30 US disclosed