SCHEMBL25596646

SCHEMBL25596646

CC(C)c1cc(CC(C)c2ncco2)on1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.37
EPHX2 P34913 2/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GRM5 P41594 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL1106840 0.73 ALDH1A1 (0.43) EPHX2ALDH1A1LMNAGRM5NPC1
SCHEMBL22198327 0.72 ALDH1A1 (0.40) IGF1REPHX2ALDH1A1LMNAGRM5
SCHEMBL25138308 0.71 EPHX2 (0.32) IGF1REPHX2ALDH1A1LMNA
SCHEMBL22837860 0.70 EPHX2 (0.38) IGF1REPHX2ALDH1A1LMNAGRM5
SCHEMBL92807 0.68 EPHX2 (0.42) IGF1REPHX2ALDH1A1LMNAGRM5
SCHEMBL6839719 0.68
SCHEMBL13104755 0.68
SCHEMBL1233410 0.67 EPHX2 (0.40) IGF1REPHX2ALDH1A1LMNAGRM5
SCHEMBL682658 0.67
SCHEMBL24348141 0.67

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-4198031-A1 TLR7/8 ANTAGONISTS AND USES THEREOF Merck Patent GmbH (DE) 2023-06-21 EP disclosed