SCHEMBL28638461

SCHEMBL28638461

Cc1cccc(C(=O)OCC2(C)COC2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.52
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
PKM P14618 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PARP1 P09874 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL14839374 0.91 L3MBTL1 (0.41) L3MBTL1RAB9ANPC1ADRB2ADRB1
SCHEMBL27980364 0.86 CYP2C9 (0.39) L3MBTL1RAB9ANPC1TDP1LMNA
SCHEMBL5375326 0.84 LMNA (0.49) RAB9ANPC1ADRB2ADRB1ADRB3
SCHEMBL17772767 0.83 TSHR (0.50) L3MBTL1KDM4ETSHRSMN1; SMN2
SCHEMBL26328801 0.82 RAB9A (0.49) RAB9ANPC1ADRB2ADRB1ADRB3
SCHEMBL14839397 0.82 ESR1 (0.42) RAB9ANPC1TDP1TSHRLMNA
SCHEMBL16072892 0.81 HDAC3 (0.37) L3MBTL1NPSR1LMNAALDH1A1
SCHEMBL28020539 0.77 L3MBTL1 (0.54) L3MBTL1RAB9ANPC1ADRB2ADRB1
SCHEMBL25439968 0.77 MAPT (0.45) RAB9ANPC1TDP1TSHRNPSR1
SCHEMBL26328803 0.77 MAPK1 (0.38) L3MBTL1RAB9ANPC1PKMTDP1

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-108883099-B Thiazolidinone compounds and use thereof 石全 2021-09-28 CN disclosed