SCHEMBL31414031

SCHEMBL31414031

C=CCOc1ccccc1CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.53
CXCL8 P10145 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
AKR1B1 P15121 1/20 0.47
CFD P00746 1/20 0.47
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
F11 P03951 1/20 0.47
KLKB1 P03952 1/20 0.47
F7 P08709 1/20 0.47
TPSB2 P20231 1/20 0.47
CHRM1 P11229 1/20 0.46

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
SCHEMBL292808 1.00 LIG1 (0.53) LIG1CXCL8L3MBTL1MEN1KMT2A
SCHEMBL25380983 0.87 LIG1 (0.53) LIG1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL17008015 0.84 KDM4E (0.57) CXCL8L3MBTL1KMT2AALDH1A1KDM4E
SCHEMBL28485379 0.84 THRA (0.51) LIG1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6686753 0.81 MAPT (0.47) LIG1CXCL8L3MBTL1MEN1KMT2A
SCHEMBL28640918 0.80 ALDH1A1 (0.51) LIG1L3MBTL1ALDH1A1KDM4ETSHR
SCHEMBL21455647 0.80 L3MBTL1 (0.55) CXCL8L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL8754795 0.80 ALDH1A1 (0.58) LIG1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL12986104 0.79 CXCL8 (0.54) CXCL8L3MBTL1KDM4EAKR1B1CFD
SCHEMBL22323844 0.79 L3MBTL1 (0.61) LIG1L3MBTL1MEN1KMT2AALDH1A1

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-2025077996-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF ECTEINASCIDIN COMPOUNDS PHARMA MAR, S.A. (ES) 2025-04-17 WO disclosed