SCHEMBL6544965

SCHEMBL6544965

CCOc1cc(C(=O)CBr)ccc1C(C)N(C(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
GSK3B P49841 2/20 0.35
PTPN1 P18031 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL2195582 0.76 GSK3B (0.45) GSK3BPTPN1POLB
SCHEMBL5057100 0.74 TSHR (0.57) TSHRMAPK1LMNAGSK3BPOLB
SCHEMBL28716033 0.73 TSHR (0.39) TSHRKMT2AHSD17B10ALDH1A1
SCHEMBL28716034 0.73 TSHR (0.39) TSHRKMT2AHSD17B10ALDH1A1
SCHEMBL7859993 0.71 TSHR (0.46) TSHRMAPK1LMNAGSK3BPTPN1
SCHEMBL5050071 0.71 GSK3B (0.49) TSHRMAPK1LMNAGSK3BPTPN1
SCHEMBL28715339 0.71 TSHR (0.35) TSHRLMNAMEN1KMT2ANPC1
SCHEMBL28715340 0.71 TSHR (0.35) TSHRLMNAMEN1KMT2ANPC1
SCHEMBL5051403 0.70 MAPK1 (0.63) TSHRMAPK1GSK3BMEN1KMT2A
SCHEMBL5057184 0.70 GSK3B (0.47) TSHRMAPK1LMNAGSK3BPTPN1

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
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed