SCHEMBL4399199

SCHEMBL4399199

CC(C)(C)n1c(C(=O)O)c(-c2ccccc2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 5/20 0.44
RCE1 Q9Y256 1/20 0.44
SERPINE1 P05121 2/20 0.41
GAA P10253 1/20 0.41
AGTR1 P30556 2/20 0.41
EDNRB P24530 3/20 0.41
EDNRA P25101 3/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
RORC P51449 1/20 0.40
ACLY P53396 1/20 0.39
FOLH1 Q04609 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL6857637 0.87 EDNRA (0.53) KMT2AKDM4EEDNRBEDNRAALDH1A1
SCHEMBL7593404 0.80 KMT2A (0.55) KMT2ALMNASMN1; SMN2KDM4EGAA
SCHEMBL28662112 0.78 MEN1 (0.43) KMT2ASMN1; SMN2KDM4EPOLBFOLH1
SCHEMBL7134859 0.77 KMT2A (0.44) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL11791604 0.77 KMT2A (0.62) KMT2ALMNASMN1; SMN2KDM4EAGTR1
SCHEMBL7607181 0.76 KMT2A (0.43) KMT2ALMNASMN1; SMN2KDM4ERCE1
SCHEMBL6017853 0.71 SMN1; SMN2 (0.53) KMT2ALMNASMN1; SMN2KDM4EGAA
SCHEMBL16144912 0.71 LMNA (0.53) KMT2ALMNASMN1; SMN2KDM4EGAA
SCHEMBL29625463 0.70 GPR3 (0.52) KMT2ALMNAKDM4EPOLBALDH1A1
SCHEMBL2608424 0.70 GPR3 (0.52) KMT2ALMNAKDM4EPOLBALDH1A1

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-2081894-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SmithKline Beecham Corporation (US) 2009-07-29 EP claimed
WO-2008028118-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SMITHKLINE BEECHAM CORPORAITON (US) 2008-03-06 WO claimed