SCHEMBL7629409

SCHEMBL7629409

CCCCC1CC[C](OOC(=O)c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.43
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
TSHR P16473 2/20 0.39
CYP2C19 P33261 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL7631032 0.93 LMNA (0.44) CYP3A4CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL7626074 0.88 MCHR1 (0.46) MCHR1SCN1ASCN2ASCN3AHPGD
SCHEMBL7634988 0.86 ALDH1A1 (0.39) CYP3A4CYP1A2CYP2C9HPGDSMN1; SMN2
SCHEMBL7630333 0.86 SCN1A (0.37) CYP3A4CYP1A2CYP2C9SCN1ASCN2A
SCHEMBL7629434 0.84 PLK1 (0.38) CYP3A4CYP2C9L3MBTL1CYP2C19
SCHEMBL7625785 0.84 RARB (0.42) HPGD
SCHEMBL7628002 0.84 HDAC3 (0.41) CYP3A4CYP1A2CYP2C9SMN1; SMN2L3MBTL1
SCHEMBL7627239 0.84 MAPT (0.43) SMN1; SMN2HDAC3HDAC1HDAC2MAPT
SCHEMBL7633349 0.83 CYP1A2 (0.35) CYP3A4CYP1A2CYP2C9SMN1; SMN2TSHR
SCHEMBL7633599 0.83 MEN1 (0.40) CYP3A4CYP1A2CYP2C9HPGDSMN1; SMN2

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