SCHEMBL10697804

SCHEMBL10697804

CC1(C)C=C(n2ccc(O)cc2=O)c2cc(C=O)ccc2O1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PTPN1 P18031 1/20 0.31
JAK3 P52333 2/20 0.30

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
SCHEMBL7266931 0.84 RXFP1 (0.32) ALDH1A1
SCHEMBL10697122 0.82 MAPT (0.34) MAPTKDM4EALDH1A1
SCHEMBL7269375 0.82 PDE4A (0.42) MAPTKDM4E
SCHEMBL10696935 0.81 MAPT (0.34) MAPTKDM4EALDH1A1
SCHEMBL10695563 0.81 CA9 (0.36) MAPTALDH1A1
SCHEMBL9299687 0.80 PDE4A (0.41)
SCHEMBL10695615 0.79 MAPT (0.40) MAPTKDM4EALDH1A1
SCHEMBL8085151 0.79 MAPT (0.34) MAPTKDM4EALDH1A1
SCHEMBL10697007 0.78 RARA (0.38) MAPTKDM4EALDH1A1
SCHEMBL7293261 0.78 CCNC (0.33) MAPTKDM4EALDH1A1

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-0273262-A2 Chroman derivatives MERCK PATENT GmbH (DE) 1988-07-06 EP disclosed