SCHEMBL8777982

SCHEMBL8777982

CC(C)(C)c1cc(C(=O)Oc2ccccc2N)cc(C(C)(C)C)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
SERPINE1 P05121 1/20 0.50
TNFRSF1A P19438 1/20 0.45
PTGS2 P35354 2/20 0.44
ALOX5 P09917 1/20 0.44
PTGS1 P23219 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
F2R P25116 3/20 0.42
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
SYK P43405 1/20 0.40
GAA P10253 1/20 0.40
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
NSD2 O96028 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38

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
SCHEMBL2374902 0.87 SERPINE1 (0.54) TSHRSMN1; SMN2SERPINE1TNFRSF1APTGS2
SCHEMBL13292710 0.82 SMN1; SMN2 (0.61) TSHRSMN1; SMN2SERPINE1PTGS1NR1H4
SCHEMBL9280957 0.81 ALOX5 (0.55) SMN1; SMN2SERPINE1TNFRSF1APTGS2ALOX5
SCHEMBL11786628 0.81 SELL (0.52) SERPINE1TNFRSF1APTGS2ALOX5PTGS1
SCHEMBL1796301 0.80 PTGS1 (0.48) SMN1; SMN2SERPINE1TNFRSF1APTGS2ALOX5
SCHEMBL29612711 0.80 PTGS1 (0.48) SMN1; SMN2SERPINE1TNFRSF1APTGS2ALOX5
SCHEMBL11739738 0.80 SERPINE1 (0.47) SERPINE1TNFRSF1APTGS2ALOX5PTGS1
SCHEMBL11729947 0.79 NSD2 (0.63) SERPINE1TNFRSF1APTGS2ALOX5PTGS1
SCHEMBL8777915 0.79 TTR (0.55) SMN1; SMN2SERPINE1TNFRSF1APTGS2ALOX5
SCHEMBL13292741 0.78 NPSR1 (0.59) TSHRSMN1; SMN2TDP1LMNAPRSS1

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