SCHEMBL8192534

SCHEMBL8192534

C[C@H](NCC1CCc2cc(-c3ccccc3-c3ccccc3)ccc2C1O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAN2A1 Q16706 1/20 0.39
MAN1B1 Q9UKM7 1/20 0.39
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
CASR P41180 4/20 0.34
GFRA3 O60609 1/20 0.34
RET P07949 1/20 0.34
HSD17B1 P14061 1/20 0.33
FABP4 P15090 1/20 0.33
KDM4C Q9H3R0 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.32
APAF1 O14727 1/20 0.32
LIPG Q9Y5X9 1/20 0.32

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
SCHEMBL8205004 1.00 MAN2A1 (0.39) MAN2A1MAN1B1USP2LMNAMAPT
SCHEMBL8192532 1.00 MAN2A1 (0.39) MAN2A1MAN1B1USP2LMNAMAPT
SCHEMBL8192529 1.00 MAN2A1 (0.39) MAN2A1MAN1B1USP2LMNAMAPT
SCHEMBL8205006 1.00 MAN2A1 (0.39) MAN2A1MAN1B1USP2LMNAMAPT
SCHEMBL8202278 0.78 USP2 (0.46) USP2MAPTMAPK1MEN1KMT2A
SCHEMBL8202280 0.78 USP2 (0.46) USP2MAPTMAPK1MEN1KMT2A
SCHEMBL8202272 0.78 USP2 (0.46) USP2MAPTMAPK1MEN1KMT2A
SCHEMBL8204179 0.75 CD274 (0.47)
SCHEMBL8203683 0.75 CD274 (0.47)
SCHEMBL8203686 0.75 CD274 (0.47)

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
WO-1998036749-A1 TETRALONE DERIVATIVES AS ANTIARRHYTHMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-27 WO claimed
US-6048877-A Tetralone derivatives as antiarrhythmic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2000-04-11 US disclosed