SCHEMBL8846449

SCHEMBL8846449

C[C@@H](C(=O)O)N(OCc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ALOX5 P09917 1/20 0.39
MAPK1 P28482 2/20 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
SCHEMBL11133458 1.00 LTA4H (0.44) LTA4HALDH1A1HPGDMAPTSLC1A3
Phosphoric Acid SCHEMBL28251406 0.83 ALDH1A1 (0.41) ALDH1A1HPGDMAPTLMNAL3MBTL1
SCHEMBL29371149 0.82 ALDH1A1 (0.40) ALDH1A1HPGDMAPTLMNAL3MBTL1
SCHEMBL20162506 0.80 ALDH1A1 (0.38) ALDH1A1HPGDMAPTLMNAL3MBTL1
SCHEMBL472178 0.80 ALDH1A1 (0.38) ALDH1A1HPGDMAPTLMNAL3MBTL1
SCHEMBL6555636 0.80 ALDH1A1 (0.38) ALDH1A1HPGDMAPTLMNAL3MBTL1
SCHEMBL2859531 0.78 NPC1 (0.39) ALDH1A1CYP1A2CYP2D6LMNATSHR
SCHEMBL3199580 0.78 KMT2A (0.41) ALDH1A1HPGDKMT2ACYP1A2CYP2C9
SCHEMBL5229233 0.75 ALDH1A1 (0.49) ALDH1A1HPGDMAPTKMT2ALMNA
SCHEMBL1812242 0.75 ALDH1A1 (0.49) ALDH1A1HPGDMAPTKMT2ALMNA

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
CN-119546313-A Cancer treatment using NUC-7738 努卡那有限公司 2025-02-28 CN disclosed
US-5658901-A 2,3-dihydro-1-(2,2,2,-trifluoroethyl)-2-oxo-5-phenyl-1H-1,4-benzodiazepines MERCK & CO., INC. (US) 1997-08-19 US disclosed