SCHEMBL8897417

SCHEMBL8897417

CCCCCCCC(=O)CCC(C)(C)CC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MAPT P10636 1/20 0.55
CES2 O00748 4/20 0.46
CES1 P23141 4/20 0.46
HAO1 Q9UJM8 1/20 0.46
GPR84 Q9NQS5 7/20 0.45
PPARG P37231 7/20 0.45
PPARD Q03181 7/20 0.45
PPARA Q07869 7/20 0.45
HDAC11 Q96DB2 5/20 0.45
TSHR P16473 4/20 0.45
PTPN1 P18031 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TLR2 O60603 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FABP4 P15090 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 1/20 0.45
ESR1 P03372 1/20 0.45

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
SCHEMBL8896237 0.92 KMT2A (0.55) KMT2AMAPTCES2CES1HAO1
SCHEMBL8896365 0.90 KMT2A (0.52) KMT2AMAPTCES2CES1HAO1
SCHEMBL8897286 0.88 KMT2A (0.50) KMT2AMAPTCES2CES1HAO1
SCHEMBL18670992 0.88 KMT2A (0.55) KMT2AMAPTCES2CES1HAO1
SCHEMBL2995746 0.86 KMT2A (0.53) KMT2AMAPTCES2CES1HAO1
SCHEMBL8898144 0.86 KMT2A (0.52) KMT2AMAPTCES2CES1HAO1
SCHEMBL11564017 0.85 TDP1 (0.33) KMT2AMAPTCES2CES1TSHR
SCHEMBL8897919 0.84 KMT2A (0.45) KMT2AMAPTCES2CES1HAO1
SCHEMBL8096567 0.83 KMT2A (0.59) KMT2AMAPTCES2CES1HAO1
SCHEMBL18085816 0.83 KMT2A (0.59) KMT2AMAPTCES2CES1HAO1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed