SCHEMBL7628192

SCHEMBL7628192

C[C](C)OOC(=O)c1cccc(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ATM Q13315 2/20 0.43
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 2/20 0.40
TRPA1 O75762 2/20 0.40
AKR1B10 O60218 1/20 0.40
ABCB11 O95342 1/20 0.40
DHFR P00374 1/20 0.40
MPO P05164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL126498 0.92 MEN1 (0.50) MEN1KMT2AATMESR1ESR2
SCHEMBL7628642 0.85 NPC1 (0.47) MEN1KMT2AESR1ESR2HPGD
SCHEMBL7625659 0.84 MEN1 (0.44) MEN1KMT2AATMESR1ESR2
SCHEMBL27301503 0.83 MEN1 (0.47) MEN1KMT2AATMESR1ESR2
SCHEMBL7634031 0.83 KMT2A (0.45) MEN1KMT2AATMESR1ESR2
SCHEMBL7633510 0.80 MEN1 (0.46) MEN1KMT2AATMESR1ESR2
SCHEMBL32667968 0.80 MEN1 (0.50) MEN1KMT2AATMESR1ESR2
SCHEMBL6113326 0.80 MEN1 (0.50) MEN1KMT2AATMESR1ESR2
SCHEMBL7631090 0.80 KMT2A (0.45) MEN1KMT2AATMESR1ESR2
SCHEMBL7893551 0.79 HSD17B10 (0.47) MEN1KMT2AATMESR1ESR2

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-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed