SCHEMBL29065472

SCHEMBL29065472

OCCCCc1ccccc1-c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 5/20 0.42
MERTK Q12866 5/20 0.42
FLT3 P36888 4/20 0.42
GAS6 Q14393 4/20 0.42
AXL P30530 3/20 0.42
KDM4E B2RXH2 4/20 0.42
LMNA P02545 3/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
ALOX15 P16050 3/20 0.42
HTT P42858 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42

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
SCHEMBL10358887 0.88 KDM4E (0.46) TYRO3MERTKFLT3GAS6AXL
SCHEMBL24888335 0.84 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL21565078 0.82 LIPG (0.47) TYRO3MERTKFLT3GAS6KDM4E
SCHEMBL2955776 0.82 LIPG (0.47) TYRO3MERTKFLT3GAS6KDM4E
SCHEMBL4725082 0.81 CYP1A2 (0.49) TYRO3MERTKFLT3GAS6AXL
SCHEMBL477370 0.80 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28446554 0.80 NPC1 (0.55) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28443658 0.80 CYP1A2 (0.41) KDM4ELMNACCR1CCR5CCR8
Methane SCHEMBL28035176 0.79 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28444772 0.78 NR1H2 (0.47) CYP1A2

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
CN-110498764-B Synthesis method of doxylamine succinate 深圳沃兰德药业有限公司 2023-09-08 CN disclosed