SCHEMBL29034847

SCHEMBL29034847

CC=COC(=O)C(Oc1ccccc1)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIN1 Q13526 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MMP8 P22894 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
CRHBP P24387 1/20 0.38
RAB9A P51151 1/20 0.38
CRHR2 Q13324 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5711752 0.86 TDP1 (0.54) TDP1LMNAL3MBTL1PIN1MEN1
SCHEMBL855858 0.79 ALDH1A1 (0.54) TDP1LMNAL3MBTL1PIN1MEN1
SCHEMBL29034853 0.78 CYP3A4 (0.45) TDP1LMNAL3MBTL1PIN1MEN1
SCHEMBL6959131 0.76 TDP1 (0.48) TDP1LMNAL3MBTL1PIN1MEN1
SCHEMBL11493984 0.73 TDP1 (0.54) TDP1LMNAL3MBTL1PIN1MEN1
SCHEMBL2805987 0.72 LMNA (0.72) TDP1LMNAL3MBTL1PIN1MEN1
SCHEMBL7329538 0.72 TAS1R3 (0.51) TDP1LMNAL3MBTL1MEN1KMT2A
SCHEMBL17901029 0.72 LMNA (0.72) TDP1LMNAL3MBTL1PIN1MEN1
SCHEMBL4237234 0.72 TDP1 (0.53) TDP1LMNAL3MBTL1PIN1MEN1
SCHEMBL9451277 0.71 PPARG (0.59) TDP1LMNAL3MBTL1MEN1KMT2A

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-108472381-B Compounds and therapeutic uses thereof 森陶里治疗有限公司 2023-06-06 CN disclosed