SCHEMBL29836734

SCHEMBL29836734

CC(C)(Cc1ccccc1Br)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.51
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
SLC22A12 Q96S37 3/20 0.40
ALOX5AP P20292 1/20 0.40
POLB P06746 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 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
SCHEMBL9565762 1.00 RIPK1 (0.51) RIPK1LMNAKDM4EL3MBTL1ALDH1A1
SCHEMBL15983796 0.86 LMNA (0.49) RIPK1LMNAKDM4EL3MBTL1SLC22A12
SCHEMBL16393647 0.85 RIPK1 (0.47) RIPK1LMNAKDM4EALDH1A1CTSS
SCHEMBL19182690 0.83 GABRA1 (0.48) RIPK1LMNAKDM4EL3MBTL1SLC22A12
SCHEMBL24140655 0.80 RIPK1 (0.47) RIPK1ALDH1A1CTSSCTSKPOLB
SCHEMBL1114878 0.79 AKR1B1 (0.53) LMNAKDM4EL3MBTL1POLBTAAR1
SCHEMBL4458475 0.79 KDM4E (0.51) LMNAKDM4EL3MBTL1ALDH1A1POLB
SCHEMBL3093272 0.79 RIPK1 (0.49) RIPK1LMNAKDM4EALDH1A1CTSS
SCHEMBL12802659 0.78 RIPK1 (0.49) RIPK1ALDH1A1POLBHPGDKMT2A
SCHEMBL22175384 0.78 RIPK1 (0.43) RIPK1LMNAKDM4EALDH1A1CTSS

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-114891034-A TML type trigger molecule and preparation method and application thereof 闽都创新实验室 2022-08-12 CN disclosed