SCHEMBL9687500

SCHEMBL9687500

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.49
LMNA P02545 2/20 0.47
PIN1 Q13526 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MDM4 O15151 1/20 0.43
MAPT P10636 1/20 0.43
MDM2 Q00987 1/20 0.43
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL7490890 0.94 MMP8 (0.47) MMP8LMNAPIN1MEN1KMT2A
SCHEMBL9686671 0.92 MMP8 (0.46) MMP8LMNAPIN1MEN1KMT2A
SCHEMBL9796658 0.86 MMP8 (0.48) MMP8LMNAPIN1MEN1KMT2A
SCHEMBL5836723 0.83 KMT2A (0.55) LMNAMEN1KMT2ATSHRSLC6A2
SCHEMBL28026121 0.83 KMT2A (0.55) LMNAMEN1KMT2ATSHRSLC6A2
SCHEMBL27419364 0.83 MMP8 (0.46) MMP8LMNAPIN1MEN1KMT2A
SCHEMBL9685959 0.81 SMN1; SMN2 (0.48) MMP8LMNAPIN1MEN1KMT2A
SCHEMBL5908695 0.80 MMP8 (0.51) MMP8LMNAPIN1MEN1KMT2A
SCHEMBL10975454 0.78 CYP2C19 (0.49) MMP8LMNAPIN1MEN1KMT2A
SCHEMBL1869157 0.78 MMP8 (0.56) MMP8PIN1MEN1KMT2ANPC1

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
US-5147952-A PROCESS FOR PRODUCING MACROMOLECULAR MONOMER TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-09-15 US disclosed