SCHEMBL7633002

SCHEMBL7633002

Cc1cccc(C(=O)OO[C]2CCC(C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
PARP1 P09874 1/20 0.41
KMT2A Q03164 4/20 0.41
ESR1 P03372 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
GPR17 Q13304 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNK3 O14649 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
SCHEMBL7627887 0.85 KMT2A (0.50) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL7632166 0.85 NPC1 (0.40) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL7629177 0.85 SMN1; SMN2 (0.41) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL7632992 0.85 NPC1 (0.41) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL7675141 0.84 PARP1 (0.42) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL7629538 0.84 MAPT (0.43) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL7631816 0.84 KMT2A (0.49) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL7628543 0.84 KMT2A (0.49) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL7634531 0.84 LMNA (0.50) MAPTGAACYP2C19ALDH1A1LMNA
SCHEMBL7634538 0.82 TDP1 (0.44) MAPTCYP1A2GAACYP2C9CYP2C19

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