SCHEMBL7623552

SCHEMBL7623552

Cc1ccc(C(=O)OO[C]2CCCCCCCCCCC2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MAPT P10636 6/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
HPGD P15428 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7634249 1.00 KMT2A (0.44) KMT2AMAPTNPC1RAB9AHPGD
SCHEMBL7628441 0.98 KMT2A (0.46) KMT2AMAPTNPC1RAB9AHPGD
SCHEMBL7623860 0.82 TDP1 (0.48) KMT2AMAPTNPC1RAB9AHPGD
SCHEMBL7625721 0.82 TDP1 (0.48) KMT2AMAPTNPC1RAB9AHPGD
SCHEMBL7629617 0.80 KMT2A (0.41) KMT2AMAPTNPC1RAB9AHPGD
SCHEMBL7626946 0.80 TDP1 (0.50) KMT2AMAPTNPC1RAB9AHPGD
SCHEMBL7628543 0.80 KMT2A (0.49) KMT2AMAPTNPC1RAB9AHPGD
SCHEMBL7631816 0.80 KMT2A (0.49) KMT2AMAPTNPC1RAB9AHPGD
SCHEMBL7628166 0.79 MAPT (0.55) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7629419 0.79 MAPT (0.55) KMT2AMAPTNPC1RAB9ASMN1; 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