SCHEMBL29065067

SCHEMBL29065067

CC(C)Cn1cccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ KDM4E B2RXH2 2/20 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
SCHEMBL11354910 0.81 ALDH1A1 (0.46) TDP1ALDH1A1LMNAMAPTCYP2D6
SCHEMBL25392488 0.79 MEN1 (0.38) POLBAPEX1TDP1L3MBTL1MEN1
SCHEMBL25393644 0.79 MEN1 (0.38) POLBAPEX1TDP1L3MBTL1MEN1
SCHEMBL25392489 0.79 MEN1 (0.38) POLBAPEX1TDP1L3MBTL1MEN1
SCHEMBL29229 0.79 LMNA (0.44) POLBAPEX1TDP1L3MBTL1MEN1
SCHEMBL31328905 0.78 PKM (0.48) POLBAPEX1TDP1L3MBTL1MEN1
SCHEMBL11367101 0.77 KDM4E (0.38) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL29030310 0.77 EPHX2 (0.43) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL10503892 0.76 KDM4E (0.36) POLBTDP1L3MBTL1MEN1KMT2A
SCHEMBL20894093 0.76 LMNA (0.42) POLBAPEX1TDP1L3MBTL1MEN1

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-116710430-A Methods and compounds for restoring mutant p53 function 皮姆维制药公司 2023-09-05 — — CN disclosed
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