SCHEMBL7986289

SCHEMBL7986289

Cc1ccccc1CO[C@H](COCc1ccccc1F)[C@@H](O)[C@H](O)[C@@H](COCc1ccccc1F)OCc1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
ALDH1A1 P00352 4/20 0.35
MAOB P27338 2/20 0.35
RXRA P19793 1/20 0.35
HNF4A P41235 1/20 0.35
OGA O60502 2/20 0.34
AR P10275 1/20 0.34
ACHE P22303 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
MCL1 Q07820 1/20 0.33
FFAR1 O14842 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
TACR1 P25103 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7451561 0.85 IDO1 (0.39) IDO1ALDH1A1MAOBL3MBTL1MAPT
SCHEMBL7571942 0.85 AR (0.36) IDO1ALDH1A1MAOBARNPC1
SCHEMBL7986153 0.84 LMNA (0.39) IDO1ALDH1A1MAOBMAPTHPGD
SCHEMBL7989608 0.84 ALDH1A1 (0.36) ALDH1A1RXRAARL3MBTL1MAPT
SCHEMBL7989289 0.83 CA1 (0.42) IDO1ALDH1A1MAOBTSHR
SCHEMBL7976011 0.83 CA1 (0.45) IDO1TSHRTACR1HTT
SCHEMBL7989311 0.82 CA1 (0.44) IDO1ALDH1A1TSHRTACR1HTT
SCHEMBL7989824 0.81 ALDH1A1 (0.39) IDO1ALDH1A1MAOBL3MBTL1MAPT
SCHEMBL7987648 0.81 HSP90AA1 (0.39) IDO1ALDH1A1MAOBL3MBTL1LMNA
SCHEMBL7508198 0.80 TDP1 (0.33) IDO1ALDH1A1MAOBRXRAHNF4A

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-6313177-B1 AS ANTIVIRAL AGENTS PHARMACOR INC. (CA) 2001-11-06 US disclosed