SCHEMBL6054597

SCHEMBL6054597

CCC(CO)C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP12 P39900 1/20 0.53
MMP14 P50281 1/20 0.53
MMP15 P51511 1/20 0.53
MMP16 P51512 1/20 0.53
MMP26 Q9NRE1 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.51
PGR P06401 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
HTR2A P28223 1/20 0.50
HRH1 P35367 1/20 0.50
KCNH2 Q12809 1/20 0.50
SMN1; SMN2 Q16637 1/20 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
SCHEMBL1629814 0.90 MMP2 (0.57) MMP2MMP9MMP12MMP14MMP15
Water SCHEMBL28896308 0.88 MMP2 (0.56) MMP2MMP9MMP12MMP14MMP15
SCHEMBL9350244 0.87 MAPT (0.53) MMP2MMP9MMP12MMP14MMP15
SCHEMBL16466619 0.85 RAB9A (0.53) MMP2MMP9MMP12MMP14MMP15
SCHEMBL1828579 0.82 MAPT (0.54) MMP2MMP9MMP12MMP14MMP15
SCHEMBL4202509 0.82 MMP2 (0.51) MMP2MMP9MMP12MMP14MMP15
SCHEMBL8881262 0.82 MMP2 (0.51) MMP2MMP9MMP12MMP14MMP15
SCHEMBL8114344 0.82 MMP2 (0.73) MMP2MMP9MMP12MMP14MMP15
SCHEMBL25645644 0.81 TSHR (0.63) MMP2MMP9MMP12MMP14MMP15
SCHEMBL8120164 0.81 MMP2 (0.71) MMP2MMP9MMP12MMP14MMP15

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283524-B Beta-hydroxy ketone compound and synthesis method thereof 南京工业大学 2025-04-25 CN disclosed
CN-116283524-A Beta-hydroxy ketone compound and synthesis method thereof 南京工业大学 2023-06-23 CN disclosed
WO-2006107759-A2 STEREOLITHOGRAPHY RESINS AND METHODS 3 BIRDS, INC. (US) 2006-10-12 WO disclosed
US-4642205-A Diastereomer salts of phenylalanine and N-acyl derivatives thereof and process for the separation of optically active phenylalanine and N-acyl derivatives thereof ALKALOIDA VEGYESZETI GYAR (HU) 1987-02-10 US disclosed
EP-0174358-A1 NOVEL DIASTEREOMER SALTS OF PHENYLALANINE AND N-ACYL DERIVATIVES THEREOF AND PROCESS FOR THE SEPARATION OF OPTICALLY ACTIVE PHENYLALANINE AND N-ACYL DERIVATIVES THEREOF ALKALOIDA VEGYéSZETI GYáR (HU) 1986-03-19 EP disclosed
WO-1985003932-A1 NOVEL DIASTEREOMER SALTS OF PHENYLALANINE AND N-ACYL DERIVATIVES THEREOF AND PROCESS FOR THE SEPARATION OF OPTICALLY ACTIVE PHENYLALANINE AND N-ACYL DERIVATIVES THEREOF ALKALOIDA VEGYÉSZETI GYÁR (HU) 1985-09-12 WO disclosed