SCHEMBL28749374

SCHEMBL28749374

CC(C)Oc1cccc(OC(=O)C2CCOCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KMT2A Q03164 4/20 0.42
▸ HTT P42858 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ GSK3B P49841 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ BRPF1 P55201 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MTNR1A P48039 3/20 0.40
▸ MTNR1B P49286 3/20 0.40
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ ATM Q13315 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
SCHEMBL28749442 0.83 MEN1 (0.47) POLBL3MBTL1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL28688381 0.81 POLB (0.51) POLBL3MBTL1KMT2AHTTSMN1; SMN2
SCHEMBL1677341 0.80 ELANE (0.58) POLBL3MBTL1KMT2AHTTSMN1; SMN2
SCHEMBL28749468 0.78 ALDH1A1 (0.54) POLBKMT2AALDH1A1MEN1KDM4E
SCHEMBL4120652 0.75 POLB (0.58) POLBL3MBTL1KMT2AHTTSMN1; SMN2
SCHEMBL28749527 0.74 KMT2A (0.58) POLBL3MBTL1KMT2AHTTSMN1; SMN2
SCHEMBL29237307 0.73 POLB (0.46) POLBL3MBTL1KMT2AHTTSMN1; SMN2
SCHEMBL8316646 0.73 POLB (0.63) POLBL3MBTL1KMT2AHTTSMN1; SMN2
SCHEMBL31501221 0.72 L3MBTL1 (0.59) POLBL3MBTL1KMT2AHTTSMN1; SMN2
SCHEMBL27947134 0.72 LMNA (0.61) POLBL3MBTL1KMT2AHTTSMN1; SMN2

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-114555573-A Prostaglandin E2(PGE2)EP4Receptor antagonists 多曼治疗学公司 2022-05-27 — — CN disclosed
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