SCHEMBL9686671

SCHEMBL9686671

C=CC(c1ccccc1)C(C(C)=O)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.46
LMNA P02545 2/20 0.43
PIN1 Q13526 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
MDM4 O15151 1/20 0.40
MAPT P10636 1/20 0.40
MDM2 Q00987 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.39
OPRD1 P41143 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL9687500 0.92 MMP8 (0.49) MMP8LMNAPIN1SMN1; SMN2MEN1
SCHEMBL7490890 0.90 MMP8 (0.47) MMP8LMNAPIN1SMN1; SMN2MEN1
SCHEMBL5835964 0.85 KMT2A (0.50) LMNAMEN1KMT2ATSHRSLC6A3
SCHEMBL9563164 0.84 LMNA (0.53) LMNASMN1; SMN2KMT2A
SCHEMBL9796658 0.82 MMP8 (0.48) MMP8LMNAPIN1SMN1; SMN2MEN1
SCHEMBL27814580 0.80 SMN1; SMN2 (0.59) MMP8PIN1SMN1; SMN2TP53MEN1
SCHEMBL10869302 0.80 MMP8 (0.51) MMP8PIN1SMN1; SMN2TP53MEN1
SCHEMBL27419364 0.79 MMP8 (0.46) MMP8LMNAPIN1SMN1; SMN2MEN1
SCHEMBL3240811 0.78 MMP8 (0.50) MMP8LMNAPIN1SMN1; SMN2TP53
SCHEMBL11458679 0.78 MMP8 (0.50) MMP8LMNAPIN1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5147952-A PROCESS FOR PRODUCING MACROMOLECULAR MONOMER TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-09-15 US disclosed
US-4596887-A Cyclization of straight chain ketone, halogen containing derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-06-24 US disclosed