SCHEMBL8688748

SCHEMBL8688748

CCOP(OCC)OCC=C(c1ccccc1)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.42
PPARD Q03181 9/20 0.42
PPARA Q07869 9/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PTGS2 P35354 1/20 0.37
TBXAS1 P24557 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ELANE P08246 1/20 0.35

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
SCHEMBL8692530 1.00 PPARG (0.42) PPARGPPARDPPARANPC1RAB9A
SCHEMBL5860091 0.94 PPARG (0.42) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL7750962 0.92 PPARG (0.42) PPARGPPARDPPARATBXAS1MTNR1A
Toluene SCHEMBL27800889 0.75 TSHR (0.52) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL13957548 0.74 PPARG (0.45) PPARGPPARDPPARATBXAS1MTNR1A
SCHEMBL12442803 0.73 PPARD (0.55) PPARGPPARDPPARA
SCHEMBL89304 0.72 MTNR1A (0.41) PPARGPPARDPPARATBXAS1MTNR1A
SCHEMBL4631622 0.72 NPC1 (0.50) NPC1RAB9AMEN1KMT2ACES2
SCHEMBL4631618 0.72 NPC1 (0.50) NPC1RAB9AMEN1KMT2ACES2
SCHEMBL8689513 0.71 NPC1 (0.48) NPC1RAB9AMEN1KMT2ACES2

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-5736284-A HIGH SOLUBILITY IN POLYMER BINDER TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-04-07 US disclosed