SCHEMBL4804853

SCHEMBL4804853

CC(C)Oc1ccc([O])c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.46
BRD4 O60885 1/20 0.43
BRPF1 P55201 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A3 P47895 1/20 0.42
POLB P06746 1/20 0.42
GLA P06280 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RORC P51449 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PRKAB2 O43741 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
SCHEMBL9255317 0.81 ALDH1A1 (0.47) PARP10ALDH1A1KMT2ABRD4BRPF1
SCHEMBL2104774 0.78 PARP10 (0.56) PARP10ALDH1A1KMT2ALMNAGAA
SCHEMBL19612249 0.78 CSNK2A1 (0.58) PARP10ALDH1A1KMT2ABRD4BRPF1
SCHEMBL3721647 0.78 LMNA (0.53) PARP10ALDH1A1KMT2ABRD4BRPF1
SCHEMBL10153913 0.78 KMT2A (0.53) PARP10ALDH1A1KMT2AKDM4EHPGD
SCHEMBL9647068 0.78 ALDH1A1 (0.48) PARP10ALDH1A1KMT2ABRD4BRPF1
SCHEMBL1808562 0.77 CA12 (0.43) ALDH1A1KDM4EHPGDMAPTHTT
SCHEMBL14446351 0.76 SMN1; SMN2 (0.44) PARP10ALDH1A1KMT2AKDM4EMAPT
SCHEMBL14949898 0.76 ALDH1A1 (0.43) PARP10ALDH1A1KMT2ABRD4BRPF1
SCHEMBL2944833 0.76 CYP3A4 (0.45) PARP10ALDH1A1KMT2ABRD4BRPF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999119-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME Abbott Laboratories (US) 2008-12-10 EP disclosed
WO-2007095602-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2007-08-23 WO disclosed