SCHEMBL25645644

SCHEMBL25645644

CCC(CC(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
KMT2A Q03164 3/20 0.62
NPC1 O15118 2/20 0.62
MEN1 O00255 2/20 0.62
MMP2 P08253 2/20 0.58
MMP12 P39900 2/20 0.58
MMP9 P14780 1/20 0.58
MMP14 P50281 1/20 0.58
MMP15 P51511 1/20 0.58
MMP16 P51512 1/20 0.58
MMP26 Q9NRE1 1/20 0.58
L3MBTL1 Q9Y468 3/20 0.49
MAPT P10636 3/20 0.49
MAPK1 P28482 3/20 0.49
HTT P42858 2/20 0.49
ATM Q13315 2/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL13405656 0.88 TSHR (0.73) TSHRKMT2ANPC1MEN1L3MBTL1
SCHEMBL3693703 0.87 TSHR (0.78) TSHRKMT2ANPC1MEN1MMP2
SCHEMBL8114344 0.87 MMP2 (0.73) TSHRKMT2ANPC1MEN1MMP2
SCHEMBL1629814 0.86 MMP2 (0.57) TSHRKMT2ANPC1MEN1MMP2
SCHEMBL8120164 0.85 MMP2 (0.71) TSHRKMT2ANPC1MEN1MMP2
Water SCHEMBL28896308 0.84 MMP2 (0.56) TSHRKMT2ANPC1MEN1MMP2
Potassium Ion SCHEMBL8104538 0.82 MMP2 (0.55) TSHRKMT2ANPC1MEN1MMP2
Lithium Ion SCHEMBL8120162 0.82 TSHR (0.59) TSHRKMT2ANPC1MEN1L3MBTL1
SCHEMBL28458528 0.82 TSHR (0.59) TSHRKMT2ANPC1MEN1L3MBTL1
Potassium Ion SCHEMBL8104536 0.82 TSHR (0.59) TSHRKMT2ANPC1MEN1L3MBTL1

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
WO-2023107557-A1 COMPOUNDS AND COMPOSITIONS THAT INHIBIT PIKFYVE Kineta, Inc. (US) 2023-06-15 WO disclosed