SCHEMBL7277598

SCHEMBL7277598

CC(=O)Oc1ccc2c(c1)C1(n3ccccc3=O)OC1C(C)(C)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
USP2 O75604 1/20 0.40
CACNA1B Q00975 2/20 0.36
APBA1 Q02410 2/20 0.36
KDM4E B2RXH2 5/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 3/20 0.36
POLB P06746 3/20 0.34
GLA P06280 2/20 0.34
CA12 O43570 1/20 0.34
GAA P10253 1/20 0.34
CA9 Q16790 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GSTP1 P09211 1/20 0.34

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
SCHEMBL7274170 0.82 TSHR (0.35)
SCHEMBL7268514 0.79 ABCC9 (0.42) LMNAKDM4E
SCHEMBL7269269 0.66 MAPT (0.39) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL17456222 0.62 MAPT (0.50) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL28344554 0.60 CA2 (0.51) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL2267166 0.60 LMNA (0.48) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL11002262 0.59 MAPT (0.48) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL9140641 0.59 ABCC9 (0.46)
SCHEMBL14240450 0.59 RARB (0.50) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL28813189 0.58 LMNA (0.42) MAPTALDH1A1KMT2AMEN1LMNA

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-0346724-A1 Chroman derivates MERCK PATENT GmbH (DE) 1989-12-20 EP disclosed