SCHEMBL7631319

SCHEMBL7631319

CCc1ccc(C(=O)OO[C]2CCC(C(C)(C)C)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 4/20 0.42
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
PLK1 P53350 1/20 0.36
CYP2J2 P51589 1/20 0.36
LMNA P02545 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CYP19A1 P11511 1/20 0.35
CES2 O00748 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7626018 0.91 KMT2A (0.43) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL7625406 0.89 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDPLK1
SCHEMBL7633563 0.88 THRA (0.44) MEN1KMT2AALDH1A1MAPT
SCHEMBL7630895 0.87 THRA (0.46) MEN1KMT2AALDH1A1MAPT
SCHEMBL7625629 0.86 KMT2A (0.47) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL7625727 0.86 NPC1 (0.43) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL7631017 0.85 MEN1 (0.46) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL7630455 0.85 MEN1 (0.43) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL7630715 0.85 TDP1 (0.49) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL7625442 0.84 MEN1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2NPC1

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