SCHEMBL10334686

SCHEMBL10334686

CC(OCc1ccccc1)(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.50
PPARG P37231 2/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 3/20 0.46
SLC16A3 O15427 1/20 0.45
SLC16A1 P53985 1/20 0.45
MCTS1 Q9ULC4 1/20 0.45
KIF11 P52732 3/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 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
SCHEMBL11228891 0.90 MEN1 (0.47) PPARAPPARGKMT2ASLC16A3SLC16A1
SCHEMBL5269658 0.85 KMT2A (0.41) NPC1RAB9AKMT2AKIF11MEN1
SCHEMBL11597711 0.77 PPARG (0.52) PPARAPPARGKMT2AMAPTMEN1
SCHEMBL30768939 0.76 PKM (0.55) ALDH1A1SMN1; SMN2PKM
SCHEMBL11238827 0.76 KMT2A (0.46) PPARAPPARGKMT2AMAPTMEN1
SCHEMBL23876186 0.76 NPC1 (0.49) PPARAPPARGNPC1RAB9AKMT2A
SCHEMBL10335699 0.75 NPC1 (0.43) PPARAPPARGNPC1RAB9AKMT2A
SCHEMBL11601217 0.75 PPARG (0.57) PPARAPPARGNPC1RAB9AKMT2A
Potassium Ion SCHEMBL8693913 0.75 ALDH1A1 (0.43) NPC1RAB9AKMT2ACYP3A4CYP2C19
SCHEMBL28838546 0.74 ALDH1A1 (0.42) NPC1RAB9AKMT2AMAPTMEN1

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-4964893-A REDUCING INJURY TO A CROP PLANT MONSANTO COMPANY (US) 1990-10-23 US disclosed