SCHEMBL2655148

SCHEMBL2655148

CC(CCc1ccc(C(=O)O)cc1)CSc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.46
KMT2A Q03164 2/20 0.46
MAOA P21397 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
SDCBP O00560 1/20 0.39
SDC2 P34741 1/20 0.39
RARB P10826 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 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
SCHEMBL2654795 0.86 CCR6 (0.45) HSP90AA1KMT2AMAOANPC1RAB9A
SCHEMBL2653361 0.79 NPC1 (0.49) HSP90AA1KMT2ANPC1RAB9APOLB
SCHEMBL3889931 0.75 MAOB (0.54) HSP90AA1KMT2AMAOARXRARXRB
SCHEMBL2655029 0.74 ALDH1A1 (0.50) KMT2ARXRARXRBRARBALDH1A1
SCHEMBL11527703 0.74 ALDH1A1 (0.55) KMT2ARXRARXRBRARBALDH1A1
SCHEMBL9144768 0.74 ALDH1A1 (0.55) KMT2ARXRARXRBRARBALDH1A1
SCHEMBL6487970 0.73 HTT (0.50) KMT2AMAOARARBALDH1A1SMN1; SMN2
SCHEMBL31632675 0.72 HTT (0.49) KMT2AMAOAALDH1A1SMN1; SMN2HTT
SCHEMBL104594 0.71 GRIN2D (0.57) KMT2ARXRARXRBPOLBRARB
SCHEMBL11358358 0.70 RARB (0.61) KMT2ARXRARXRBNPC1RAB9A

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-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed