SCHEMBL9975933

SCHEMBL9975933

CCC(=O)Oc1ccc(CCNC(C)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
ACACB O00763 5/20 0.59
KDM4E B2RXH2 2/20 0.58
F13A1 P00488 1/20 0.58
ALDH1A1 P00352 2/20 0.56
HIF1A Q16665 2/20 0.50
KMT2A Q03164 2/20 0.50
ESR1 P03372 1/20 0.50
RECQL P46063 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
PTGS1 P23219 1/20 0.50
BLM P54132 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL6965266 0.85 SMN1; SMN2 (0.73) SMN1; SMN2ACACBKDM4EF13A1ALDH1A1
SCHEMBL12039535 0.84 KMT2A (0.53) SMN1; SMN2ALDH1A1HIF1AKMT2AESR1
SCHEMBL26698316 0.84 KMT2A (0.53) SMN1; SMN2ALDH1A1HIF1AKMT2AESR1
SCHEMBL15926905 0.84 SMN1; SMN2 (0.61) SMN1; SMN2ACACBKDM4EF13A1ALDH1A1
SCHEMBL19668112 0.83 SMN1; SMN2 (0.69) SMN1; SMN2ACACBKDM4EF13A1ALDH1A1
SCHEMBL8528146 0.81 CA2 (0.50) SMN1; SMN2ACACBKDM4EALDH1A1HIF1A
SCHEMBL10592850 0.81 KDM4E (0.84) SMN1; SMN2ACACBKDM4EF13A1ALDH1A1
SCHEMBL12475741 0.81 ACACB (0.86) SMN1; SMN2ACACBKDM4EF13A1ALDH1A1
SCHEMBL659053 0.80 SMN1; SMN2 (1.00) SMN1; SMN2ACACBKDM4EF13A1ALDH1A1
SCHEMBL20593516 0.80 THRB (0.64) SMN1; SMN2ALDH1A1HIF1AKMT2AESR1

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
US-8796003-B1 Label free kinase assays and reagents PLEXERA, LLC (US) 2014-08-05 US disclosed
US-8263377-B2 Label free kinase assays and reagents PLEXERA, LLC (US) 2012-09-11 US disclosed
US-20120157328-A1 Label Free Kinase Assays and Reagents SUZHOU PUXIN LIFE SCIENCE & TECHNOLOGY., LTD. (CN) 2012-06-21 US disclosed