SCHEMBL8327573

SCHEMBL8327573

CC(C)(C)OC(=O)N(CCO)CCN(Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.49
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.41
KCNQ4 P56696 3/20 0.40
KCNQ5 Q9NR82 3/20 0.40
RIPK1 Q13546 2/20 0.40
GRM2 Q14416 1/20 0.40
KDM1A O60341 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CA14 Q9ULX7 1/20 0.39
NR1D1 P20393 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
YAP1 P46937 1/20 0.37

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
SCHEMBL8325749 0.95 SSTR4 (0.54) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL4744310 0.92 SSTR4 (0.56) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL8329242 0.89 ROCK1 (0.45) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL25047728 0.84 SSTR4 (0.48) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL8329134 0.83 ROCK1 (0.46) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL2897902 0.81 HDAC3 (0.46) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL2112935 0.81 HDAC3 (0.54) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL2259362 0.80 ROCK1 (0.48) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL14002386 0.80 SSTR4 (0.51) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL24494670 0.80 SSTR4 (0.49) SSTR4HDAC3HDAC1HDAC2NCOR2

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-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed