SCHEMBL25340803

SCHEMBL25340803

CCC1(CC)CCCC(C)C1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 2/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL19066933 0.82 CYP1A2 (0.53) CYP1A2
SCHEMBL17835275 0.79 CYP1A2 (0.46) CYP1A2ATML3MBTL1
SCHEMBL12496746 0.79 CYP1A2 (0.55) CYP1A2ALDH1A1
SCHEMBL17835267 0.79 CYP1A2 (0.46) CYP1A2ATML3MBTL1
SCHEMBL17835274 0.79 CYP1A2 (0.46) CYP1A2ATML3MBTL1
SCHEMBL17835282 0.79 CYP1A2 (0.46) CYP1A2ATML3MBTL1
SCHEMBL25830859 0.79 CYP1A2 (0.60) CYP1A2KDM4E
SCHEMBL17835273 0.79 CYP1A2 (0.46) CYP1A2ATML3MBTL1
SCHEMBL19067185 0.79 CYP1A2 (0.50) CYP1A2KDM4EGAAKMT2A
SCHEMBL18647970 0.77 CYP1A2 (0.49) CYP1A2KDM4EALDH1A1TDP1

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-4225471-A1 METHOD FOR CLEANING A GAS MIXTURE BY ADDING OZONE Hitachi Zosen Inova AG (CH) 2023-08-16 EP disclosed