SCHEMBL3465503

SCHEMBL3465503

CC(CC(=O)O)Sc1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.39
SRD5A2 P31213 2/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
TYR P14679 1/20 0.38
DRD1 P21728 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
SCHEMBL12240275 0.84 KMT2A (0.53) HTTKMT2AALDH1A1MAPTLMNA
SCHEMBL6476384 0.84 HTT (0.67) HTTKMT2AALDH1A1MAPTLMNA
SCHEMBL22361985 0.83 FFAR1 (0.45) ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL11637842 0.83 FFAR1 (0.45) ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL8101844 0.82 KMT2A (0.51) HTTKMT2AALDH1A1MAPTLMNA
SCHEMBL10474462 0.81 HTT (0.58) HTTKMT2AALDH1A1MAPTLMNA
SCHEMBL10474461 0.81 HTT (0.58) HTTKMT2AALDH1A1MAPTLMNA
SCHEMBL12264121 0.79 KMT2A (0.47) HTTKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL14557234 0.79 ALDH1A1 (0.53) HTTKMT2AALDH1A1MAPTLMNA
SCHEMBL1021140 0.79 HTT (0.59) HTTKMT2AALDH1A1MAPTLMNA

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
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 WO claimed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 WO disclosed