SCHEMBL31474348

SCHEMBL31474348

CCOc1ccc(CBr)cc1Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.48
LTA4H P09960 1/20 0.47
CALM1 P0DP23 2/20 0.43
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43
NTRK1 P04629 1/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
C5AR1 P21730 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL28468218 1.00 TTR (0.48) TTRLTA4HCALM1POLBCASP6
SCHEMBL13802798 0.84 TTR (0.64) TTRLTA4HCALM1POLBCASP6
SCHEMBL7651768 0.83 CALM1 (0.49) CALM1POLBMEN1KMT2AATM
SCHEMBL3458007 0.81 TTR (0.71) TTRNTRK1NTRK2ATML3MBTL1
SCHEMBL11208564 0.80 LTA4H (0.63) LTA4HPOLBCASP6NTRK1NTRK3
SCHEMBL10694228 0.79 L3MBTL1 (0.56) TTRLTA4HPOLBCASP6NTRK1
SCHEMBL13791585 0.78 LTA4H (0.55) TTRLTA4HCALM1POLBCASP6
SCHEMBL11738087 0.77 LTA4H (0.63) LTA4HNTRK1NTRK3NTRK2SLC6A2
SCHEMBL21191013 0.77 TTR (0.53) TTRLTA4HNTRK1NTRK3NTRK2
Nitrogen SCHEMBL11748831 0.76 LTA4H (0.58) LTA4HPOLBCASP6NTRK1NTRK3

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-111675626-B Ionone alkaloid derivative and medical application thereof 天津医科大学 2025-04-01 CN disclosed