SCHEMBL31723128

SCHEMBL31723128

COc1ccc(-c2oc3cc(C)ccc3c(=O)c2C(=O)O)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 5/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
CYP3A4 P08684 4/20 0.60
CASP1 P29466 4/20 0.60
CASP7 P55210 4/20 0.60
ABCB1 P08183 2/20 0.58
ABCG2 Q9UNQ0 4/20 0.57
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HTT P42858 1/20 0.55
TP53 P04637 5/20 0.53
LMNA P02545 3/20 0.53
HSD17B10 Q99714 3/20 0.53
MAPK1 P28482 2/20 0.48
CSNK2A2 P19784 1/20 0.48

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
SCHEMBL28425356 1.00 MAPT (0.60) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL31723149 0.91 MAPT (0.73) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL22284778 0.91 MAPT (0.73) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL31723172 0.88 ABCG2 (0.73) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL28431125 0.88 ABCG2 (0.73) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL20918230 0.87 MAPT (0.62) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL31723144 0.87 MAPT (0.62) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL31723152 0.86 MEN1 (0.72) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL28425332 0.86 MEN1 (0.72) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL30667473 0.84 MAPT (0.82) MAPTKDM4EALDH1A1MEN1KMT2A

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-3699174-B1 COMPOSITION FOR PREVENTING OR TREATING TNF-RELATED DISEASES, CONTAINING DERIVATIVE AS ACTIVE INGREDIENT, AND METHOD FOR INHIBITING TNF ACTIVITY BY USING SAME ILAB (KR) 2025-11-12 EP claimed