SCHEMBL7632166

SCHEMBL7632166

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.40
MAPT P10636 3/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
RAB9A P51151 4/20 0.39
KMT2A Q03164 5/20 0.39
ESR1 P03372 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
PARP1 P09874 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 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
SCHEMBL7625394 0.87 MEN1 (0.42) NPC1MAPTRAB9AKMT2ACYP1A2
SCHEMBL7633002 0.85 MAPT (0.44) NPC1MAPTRAB9AKMT2AESR1
SCHEMBL7630715 0.85 TDP1 (0.49) MAPTKMT2AGAAKDM4EMEN1
SCHEMBL7637310 0.85 ESR1 (0.50) NPC1RAB9AKMT2AESR1MAPK1
SCHEMBL7634492 0.85 TDP1 (0.44) NPC1MAPTRAB9AGAAALDH1A1
SCHEMBL7625629 0.84 KMT2A (0.47) NPC1MAPTRAB9AKMT2AGAA
SCHEMBL7629617 0.83 KMT2A (0.41) NPC1MAPTRAB9AKMT2ACYP1A2
SCHEMBL7627887 0.82 KMT2A (0.50) NPC1MAPTADRB2ADRB1ADRB3
SCHEMBL7634944 0.82 RAB9A (0.46) NPC1MAPTRAB9AKMT2AKDM4E
SCHEMBL7632992 0.82 NPC1 (0.41) NPC1MAPTADRB2ADRB1ADRB3

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