SCHEMBL25366396

SCHEMBL25366396

COC(=O)c1cccc2cc(O)cc(C(=O)O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.47
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTPN11 Q06124 1/20 0.43
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ESR2 Q92731 1/20 0.42
PTPN1 P18031 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
SCHEMBL10617647 0.92 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL2185926 0.85 CDC25B (0.56) CDC25BCA12CA1CA2CA7
SCHEMBL7741670 0.84 HSD17B10 (0.58) LMNATSHRKDM4EMAPTTDP1
SCHEMBL26887082 0.81 CDC25B (0.43) CDC25BLMNAKDM4EGFERHSD17B10
SCHEMBL26887083 0.80 MAOA (0.42) CA12CA1CA2CA7CA9
SCHEMBL29105420 0.80 CDC25B (0.48) CDC25BCA12CA1CA2CA7
SCHEMBL68712 0.80 KDM4E (0.58) CA12CA1CA2CA7CA9
SCHEMBL29576400 0.80 KDM4E (0.58) CA12CA1CA2CA7CA9
SCHEMBL3390578 0.77 GRIN2D (0.51) CDC25BCA12CA1CA2CA7
SCHEMBL22861264 0.75 KDM4E (0.48) CDC25BLMNATSHRKDM4EMAPT

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
WO-2023158223-A1 PERFLUOROPOLYETHER GROUP-BEARING SILANE COMPOUND AND COMPOSITION CONTAINING SAME FOR SURFACE TREATMENT 동우 화인켐 주식회사 2023-08-24 WO disclosed