SCHEMBL28958744

SCHEMBL28958744

O=C(NCCc1ccc(O)cc1)c1ccc(Cl)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
CYP1A2 P05177 1/20 0.61
GAA P10253 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
GFER P55789 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.56
KDM4E B2RXH2 1/20 0.54
F13A1 P00488 1/20 0.54
LMNA P02545 2/20 0.52
TP53 P04637 1/20 0.52
ESRRB O95718 3/20 0.51
ESRRG P62508 3/20 0.51
AKR1B10 O60218 1/20 0.51
AKR1B1 P15121 1/20 0.51
DNMT3A Q9Y6K1 1/20 0.50

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
SCHEMBL28958700 0.88 ALDH1A1 (0.73) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28958730 0.79 NPC1 (0.74) MAPTNPC1RAB9ACYP1A2GAA
SCHEMBL28958706 0.78 HPGD (0.75) MAPTNPC1RAB9AGFERSMN1; SMN2
SCHEMBL30954338 0.78 L3MBTL1 (0.71) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7155752 0.77 ALDH1A1 (0.76) MAPTNPC1RAB9ACYP1A2GAA
SCHEMBL31420450 0.76 NPC1 (0.84) MAPTNPC1RAB9ACYP1A2GAA
SCHEMBL8668493 0.76 NPC1 (1.00) MAPTNPC1RAB9ACYP1A2GAA
SCHEMBL1368482 0.76 NPC1 (1.00) MAPTNPC1RAB9ACYP1A2GAA
SCHEMBL30865543 0.75 NPC1 (0.79) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2191045 0.73 KDM4E (0.65) MAPTNPC1RAB9ACYP1A2GAA

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-115707699-A Anti-osteoporosis compound and application thereof 中国医学科学院医药生物技术研究所 2023-02-21 CN disclosed