SCHEMBL25800697

SCHEMBL25800697

CCC(C)(C)C(=O)OC(C)(C)/C=C/c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GLA P06280 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPARA Q07869 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.40
EGFR P00533 1/20 0.40
RIPK1 Q13546 3/20 0.39
AKR1C3 P42330 1/20 0.39
HAO1 Q9UJM8 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PAM P19021 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL28813175 0.80 CYP2C19 (0.56) CYP2C19NPC1L3MBTL1GLATDP1
SCHEMBL8401214 0.78 PPARA (0.43) CYP2C19NPC1L3MBTL1GLATDP1
SCHEMBL12995854 0.74 CYP2C19 (0.48) CYP2C19RIPK1ALDH1A1MEN1KMT2A
SCHEMBL8399644 0.73 PPARA (0.38) CYP2C19NPC1L3MBTL1GLATDP1
SCHEMBL7127921 0.73 CYP2C19 (0.50) CYP2C19NPC1L3MBTL1GLATDP1
SCHEMBL7127915 0.73 CYP2C19 (0.50) CYP2C19NPC1L3MBTL1GLATDP1
SCHEMBL13220247 0.73
SCHEMBL19130587 0.73 CYP2C19 (0.50) CYP2C19NPC1L3MBTL1GLATDP1
SCHEMBL2789093 0.73 CYP2C19 (0.48) CYP2C19NPC1L3MBTL1GLATDP1
SCHEMBL6281994 0.73 CYP2C19 (0.48) CYP2C19NPC1L3MBTL1GLATDP1

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
US-11693316-B2 Resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2023-07-04 US disclosed