SCHEMBL7490890

SCHEMBL7490890

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.47
LMNA P02545 2/20 0.44
PIN1 Q13526 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C19 P33261 1/20 0.41
MDM4 O15151 1/20 0.41
MAPT P10636 1/20 0.41
MDM2 Q00987 1/20 0.41
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40
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 0.39

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 0.94 MMP8 (0.49) MMP8LMNAPIN1MEN1KMT2A
SCHEMBL9686671 0.90 MMP8 (0.46) MMP8LMNAPIN1MEN1KMT2A
SCHEMBL5835956 0.84 KMT2A (0.51) LMNAMEN1KMT2ACYP2C19TSHR
SCHEMBL9796658 0.83 MMP8 (0.48) MMP8LMNAPIN1MEN1KMT2A
SCHEMBL5836538 0.82 LMNA (0.51) LMNACYP2C19TDP1
SCHEMBL5908695 0.81 MMP8 (0.51) MMP8LMNAPIN1MEN1KMT2A
SCHEMBL27419364 0.81 MMP8 (0.46) MMP8LMNAPIN1MEN1KMT2A
SCHEMBL9685959 0.78 SMN1; SMN2 (0.48) MMP8LMNAPIN1MEN1KMT2A
SCHEMBL5836723 0.78 KMT2A (0.55) LMNAMEN1KMT2ACYP2C19TSHR
SCHEMBL28026121 0.78 KMT2A (0.55) LMNAMEN1KMT2ACYP2C19TSHR

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-0061745-A1 Tetrahydroisoquinoline compounds, processes for preparation thereof and pharmaceutical composition containing them Tanabe Seiyaku Co., Ltd. (JP) 1982-10-06 EP disclosed