SCHEMBL10007441

SCHEMBL10007441

CNC(=O)c1cc(C(O)Nc2cc(C(C)(c3ccc(O)c(C)c3)C(F)(F)F)ccc2O)c(C(=O)O)cc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.36
TAS2R14 Q9NYV8 2/20 0.33
NR1H4 Q96RI1 3/20 0.32
ESRRG P62508 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
SORT1 Q99523 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ESR1 P03372 2/20 0.30
PTPN5 P54829 1/20 0.30
ESR2 Q92731 1/20 0.30
VDR P11473 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL12917926 0.85 AKT1 (0.43) AKT1TAS2R14NR1H4MEN1KMT2A
SCHEMBL822603 0.80 SORT1 (0.42) AKT1NR1H4MEN1KMT2AGAA
SCHEMBL2622756 0.71 SORT1 (0.43) AKT1TAS2R14NR1H4MEN1KMT2A
SCHEMBL20691069 0.68 LCK (0.39) MEN1KMT2AGAASORT1ALDH1A1
SCHEMBL15695710 0.67 ESR1 (0.63) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL13292496 0.67 TDP1 (0.39) AKT1NR1H4GAASORT1
SCHEMBL19846834 0.66 KCNMA1 (0.60) AKT1MEN1KMT2AGAAKDM4E
SCHEMBL15695614 0.64 SORT1 (0.44) NR1H4GAASORT1ALDH1A1EPHX2
SCHEMBL22062153 0.64 GAA (0.38) AKT1MEN1KMT2AGAASORT1
SCHEMBL19308000 0.63 ESR1 (0.57) ALDH1A1HPGDESR1ESR2

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
US-20120042777-A1 GAS SEPARATION USING MEMBRANES COMPRISING POLYBENZOXAZOLES PREPARED BY THERMAL REARRANGEMENT INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY (KR) 2012-02-23 US disclosed