SCHEMBL8895698

SCHEMBL8895698

CCCCCCC(C)(C)CC(=O)CCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
FFAR1 O14842 2/20 0.52
CPT2 P23786 1/20 0.52
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
CES2 O00748 4/20 0.41
CES1 P23141 3/20 0.41
HAO1 Q9UJM8 1/20 0.41
PPARG P37231 6/20 0.40
PPARD Q03181 6/20 0.40
PPARA Q07869 6/20 0.40
HDAC11 Q96DB2 5/20 0.40
TSHR P16473 4/20 0.40
GPR84 Q9NQS5 4/20 0.40
ALDH1A1 P00352 2/20 0.40
TLR2 O60603 2/20 0.40
FABP4 P15090 2/20 0.40
PTPN1 P18031 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40

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
SCHEMBL8896261 0.92 KMT2A (0.50) TDP1FFAR1CPT2KMT2AMAPT
SCHEMBL8896826 0.88 CES1 (0.42) TDP1FFAR1CPT2KMT2AMAPT
SCHEMBL2995746 0.86 KMT2A (0.53) TDP1FFAR1KMT2AMAPTCES2
SCHEMBL8895516 0.86 FFAR1 (0.54) TDP1FFAR1CPT2CES2
SCHEMBL2994225 0.85 KMT2A (0.56) TDP1FFAR1KMT2AMAPTCES2
SCHEMBL9177158 0.82 KMT2A (0.52) TDP1FFAR1KMT2AMAPTCES2
SCHEMBL8897068 0.82 KMT2A (0.52) TDP1FFAR1KMT2AMAPTCES2
SCHEMBL8096569 0.82 KMT2A (0.52) TDP1FFAR1KMT2AMAPTCES2
SCHEMBL8896247 0.81 CES1 (0.44) TDP1FFAR1KMT2AMAPTCES2
SCHEMBL7267299 0.80 TSHR (0.44) KMT2AMAPTHAO1PPARGPPARD

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