SCHEMBL8777972

SCHEMBL8777972

CC(C)(C)c1cc(C(=O)Nc2ccccc2NC(=O)Oc2ccccc2)cc(C(C)(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.48
TOP2A P11388 1/20 0.48
TOP2B Q02880 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
SYK P43405 1/20 0.44
TNFRSF1A P19438 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
F10 P00742 1/20 0.43

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
SCHEMBL3661171 0.80 TOP1 (0.57) TOP1TOP2ATOP2BKMT2AMEN1
SCHEMBL9417251 0.79 MEN1 (0.60) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL11802443 0.79 HPGD (0.59) TOP1TOP2ATOP2BKMT2AMEN1
SCHEMBL8844428 0.78 NPC1 (0.65) TOP1TOP2ATOP2BALDH1A1GLA
SCHEMBL8777865 0.78 HDAC1 (0.58) TOP1TOP2ATOP2B
SCHEMBL11729947 0.77 NSD2 (0.63) KMT2AALDH1A1HPGDTNFRSF1AMAPT
SCHEMBL8777987 0.75 TRPV1 (0.49) TOP1TOP2ATOP2BKMT2AMEN1
SCHEMBL9153729 0.74 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1KDM4EGLA
SCHEMBL8777841 0.74 TACR1 (0.44) TOP1TOP2ATOP2BALDH1A1CYP1A2
SCHEMBL10489758 0.74 TRPV1 (0.47) KMT2AMEN1ALDH1A1KDM4EGLA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665216-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-12-29 EP disclosed
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 US disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 EP disclosed