SCHEMBL7613153

SCHEMBL7613153

CC(CCCCOc1ccc(C(=O)O)cc1)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.69
MAPK1 P28482 1/20 0.65
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
PLA2G4B P0C869 7/20 0.59
HTT P42858 2/20 0.56
KMT2A Q03164 1/20 0.56
PKM P14618 1/20 0.54
PLA2G4A P47712 1/20 0.54
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL20528135 0.98 RARB (0.68) RARBMAPK1TP53TSHRPLA2G4B
SCHEMBL5400573 0.91 MAPK1 (0.73) RARBMAPK1TP53TSHRPLA2G4B
SCHEMBL8432243 0.91 MAPK1 (0.73) RARBMAPK1TP53TSHRPLA2G4B
SCHEMBL9808804 0.87 RARB (0.70) RARBMAPK1TP53TSHRPLA2G4B
SCHEMBL8436176 0.86 TP53 (0.58) RARBMAPK1TP53TSHRPLA2G4B
SCHEMBL8072342 0.86 TP53 (0.58) RARBMAPK1TP53TSHRPLA2G4B
SCHEMBL9319143 0.85 KMT2A (0.69) RARBMAPK1TP53TSHRPLA2G4B
SCHEMBL5091731 0.85 TP53 (0.60) RARBMAPK1TP53TSHRPLA2G4B
SCHEMBL13953004 0.85 TP53 (0.60) RARBMAPK1TP53TSHRPLA2G4B
SCHEMBL4602775 0.85 TP53 (0.60) RARBMAPK1TP53TSHRPLA2G4B

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-0882085-B1 BIODEGRADABLE POLYMER NETWORKS FOR USE IN ORTHOPEDIC AND DENTAL APPLICATIONS MASSACHUSETTS INST TECHNOLOGY (US) 2002-07-24 EP disclosed