SCHEMBL28630633

SCHEMBL28630633

CC(=O)OOc1cccc(C)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.67
▸ ACHE P22303 1/20 0.50
▸ HSD17B1 P14061 1/20 0.44
▸ HSD17B2 P37059 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL10767287 0.81 CYP3A4 (0.67) LMNAACHEHSD17B10CYP3A4POLB
SCHEMBL280618 0.80 LMNA (1.00) LMNAACHEKMT2AGAAHSD17B10
SCHEMBL30638434 0.80 LMNA (1.00) LMNAACHEKMT2AGAAHSD17B10
SCHEMBL3645346 0.79 MAOB (0.44) LMNAKMT2ACYP3A4MAOB
SCHEMBL4273850 0.79 CYP1A2 (0.46) LMNAKMT2AGAAHSD17B10MAPT
SCHEMBL4683517 0.79 LMNA (0.42) LMNAACHEKMT2AGAAMAPT
SCHEMBL8438276 0.79 KMT2A (0.54) KMT2AMAOBMAPK1L3MBTL1
SCHEMBL3726242 0.79 OGG1 (0.47) LMNAKMT2ACYP3A4MAOBPOLB
SCHEMBL29450759 0.79 LMNA (0.52) LMNAACHEKMT2AGAAHSD17B10
SCHEMBL6940633 0.79 LMNA (0.52) LMNAACHEKMT2AGAAHSD17B10

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
Send feedback