SCHEMBL31301140

SCHEMBL31301140

COC(=O)c1ccc(/C=C\c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.73
ALDH1A1 P00352 2/20 0.73
MAPT P10636 7/20 0.64
LMNA P02545 3/20 0.64
NPC1 O15118 2/20 0.64
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
TDP1 Q9NUW8 1/20 0.61
CA12 O43570 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
ATM Q13315 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TSHR P16473 1/20 0.58
MAOB P27338 1/20 0.57
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL5379059 1.00 PTPN1 (0.73) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL71401 1.00 PTPN1 (0.73) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL2627847 1.00 PTPN1 (0.73) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL71402 1.00 PTPN1 (0.73) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL18552317 0.94 PTPN1 (0.72) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL23332277 0.92 TDP1 (0.77) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL19909724 0.92 TDP1 (0.77) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL12294526 0.92 TDP1 (0.77) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL2615886 0.92 PTPN1 (0.65) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL14789231 0.92 ALDH1A1 (0.89) PTPN1ALDH1A1MAPTLMNANPC1

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-2024259294-A2 PROTEOMIMETIC SCAFFOLDS AND USES THEREOF NEW YORK UNIVERSITY (US) 2024-12-19 WO disclosed