SCHEMBL5546498

SCHEMBL5546498

Cc1cc(C(=O)O)c(C(=O)O)c(-c2ccco2)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.43
POLB P06746 7/20 0.43
TDP1 Q9NUW8 7/20 0.43
KDM4E B2RXH2 7/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 2/20 0.43
PKM P14618 2/20 0.43
APEX1 P27695 1/20 0.43
RCE1 Q9Y256 1/20 0.43
CFTR P13569 2/20 0.43
CTDSP1 Q9GZU7 2/20 0.43
PTPN1 P18031 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ESR1 P03372 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL5052040 0.82 L3MBTL1 (0.47) L3MBTL1POLBTDP1KDM4EMAPT
SCHEMBL18920540 0.76 MYC (0.53) L3MBTL1POLBTDP1KDM4EMAPT
SCHEMBL5530847 0.70 KDM4E (0.55) TDP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL27840902 0.69 KEAP1 (0.46) L3MBTL1POLBTDP1KDM4EMAPT
SCHEMBL27596775 0.68 PTPN1 (0.47) L3MBTL1POLBTDP1KDM4EMAPT
SCHEMBL28869121 0.67 PTPN1 (0.52) L3MBTL1POLBTDP1KDM4EMAPT
SCHEMBL18920575 0.67 KEAP1 (0.44) L3MBTL1POLBTDP1KDM4EALDH1A1
SCHEMBL5489960 0.67 KDM4E (0.50) POLBTDP1KDM4EMAPTALDH1A1
SCHEMBL9305599 0.67 KDM4E (0.55) TDP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL30753447 0.66 ALDH1A1 (0.47) KDM4EMAPTALDH1A1KMT2AGAA

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-1781610-A2 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION (US) 2007-05-09 EP disclosed
WO-2006015060-A2 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION (US) 2006-02-09 WO disclosed