SCHEMBL30069860

SCHEMBL30069860

CC1(C)OC(=O)C(=C(O)C(F)(F)c2cccc3ccccc23)C(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.36
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ACP3 P15309 2/20 0.35
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 2/20 0.35
HTT P42858 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
PTPRC P08575 1/20 0.32
ACP1 P24666 2/20 0.32
CDC25B P30305 2/20 0.32
NR4A1 P22736 1/20 0.32

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
SCHEMBL26439681 1.00 PTPN1 (0.36) PTPN1KDM4EMEN1KMT2AACP3
SCHEMBL30069765 0.72 TDP1 (0.51) PTPN1KDM4EMEN1KMT2AACP3
SCHEMBL17761135 0.72 TDP1 (0.51) PTPN1KDM4EMEN1KMT2AACP3
SCHEMBL8185296 0.71 KDM4E (0.49) KDM4EMEN1KMT2AACP3ALDH1A1
SCHEMBL30707929 0.71 KDM4E (0.49) KDM4EMEN1KMT2AACP3ALDH1A1
SCHEMBL16147542 0.67 ACP3 (0.60) KDM4EMEN1KMT2AACP3CDC25B
SCHEMBL17289035 0.67 KDM4E (0.44) KDM4EMEN1KMT2AACP3ALDH1A1
SCHEMBL28705859 0.66 KDM4E (0.47) PTPN1KDM4EMEN1KMT2AACP3
SCHEMBL29081148 0.65 KDM4E (0.50) KDM4EMEN1KMT2AACP3ALDH1A1
SCHEMBL9190026 0.65 PTPN1 (0.53) PTPN1KDM4EALDH1A1HSD17B10HTT

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
EP-4087560-A2 INHIBITORS OF MICROBIALLY INDUCED AMYLOID Axial Therapeutics, Inc. (US) 2022-11-16 EP disclosed