SCHEMBL23399748

SCHEMBL23399748

CCCc1c(O)nn(-c2ccccc2)c1CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.41
CACNA1H O95180 2/20 0.41
KDM4E B2RXH2 3/20 0.37
LMNA P02545 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
TSHR P16473 2/20 0.37
GMNN O75496 1/20 0.37
ESR1 P03372 1/20 0.37
TP53 P04637 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 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
SCHEMBL23400752 0.92 CACNA1H (0.42) USP2CACNA1HLMNACYP1A2CYP2C9
SCHEMBL23399760 0.89 USP2 (0.41) USP2CACNA1HKDM4ELMNACYP1A2
SCHEMBL23400209 0.89 CACNA1H (0.43) USP2CACNA1HKDM4ELMNACYP1A2
SCHEMBL23399025 0.88 CACNA1H (0.44) CACNA1HLMNACYP1A2CYP2C9CYP2C19
SCHEMBL23401214 0.88 KMT2A (0.39) USP2CACNA1HKDM4ELMNACYP1A2
SCHEMBL23401740 0.87 USP2 (0.46) USP2KDM4ELMNACYP1A2CYP3A4
SCHEMBL23400564 0.86 ALDH1A1 (0.38) CACNA1HKDM4ELMNATSHRTP53
SCHEMBL23400452 0.85 USP2 (0.45) USP2KDM4ELMNACYP1A2CYP3A4
SCHEMBL23399238 0.84 CACNA1H (0.40) USP2CACNA1HLMNACYP2C19TSHR
SCHEMBL23399865 0.83 USP2 (0.43) USP2KDM4ELMNACYP1A2CYP3A4

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed