SCHEMBL20142067

SCHEMBL20142067

Cc1c(Br)cc(C(=O)O)c(C)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ATM Q13315 1/20 0.45
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
HSD17B10 Q99714 3/20 0.43
TSHR P16473 3/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL4733471 0.84 GAA (0.44) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL1856696 0.84 MEN1 (0.44) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL27411185 0.83 KDM4E (0.54) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL2226009 0.83 KMT2A (0.42) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL18339051 0.83 AKR1C3 (0.53) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL13917234 0.81 KDM4E (0.50) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL17262486 0.81 GAA (0.42) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL15323915 0.81 KDM4E (0.50) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL762108 0.81 KDM4E (0.50) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL2226763 0.80 AKR1C3 (0.61) MEN1KMT2AALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed