SCHEMBL30173802

SCHEMBL30173802

CC(C)CC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
MAPK1 P28482 1/20 0.62
HIF1A Q16665 1/20 0.62
ERCC5 P28715 1/20 0.56
FEN1 P39748 1/20 0.56
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALOX12 P18054 1/20 0.51
POLB P06746 4/20 0.49
THRB P10828 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.48
CYP3A4 P08684 1/20 0.47
CTSL P07711 1/20 0.45
MEN1 O00255 2/20 0.44

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
SCHEMBL2258001 1.00 ALDH1A1 (0.62) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL23792637 0.85 ALDH1A1 (0.57) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL3182336 0.83 KDM4E (0.47) ALDH1A1MAPK1HIF1ATSHRKDM4E
SCHEMBL28019534 0.81 ALDH1A1 (0.49) ALDH1A1MAPK1HIF1AMAPTKDM4E
SCHEMBL5272634 0.80 ALDH1A1 (0.56) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL1144066 0.79 ALDH1A1 (0.69) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL29712843 0.79 ALDH1A1 (0.69) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL10825956 0.79 ALDH1A1 (0.59) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL10788696 0.78 ALDH1A1 (0.57) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL11650545 0.78 ERCC5 (0.53) ALDH1A1ERCC5FEN1SMN1; SMN2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515685-B EIF4E inhibitors and uses thereof 皮克医疗公司 2025-04-08 CN disclosed
CN-115515685-A EIF4E inhibitor and application thereof 皮克医疗公司 2022-12-23 CN disclosed