SCHEMBL8068893

SCHEMBL8068893

CCCCCC(=O)N(CCC(=O)O)CCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.60
KDM5A P29375 6/20 0.59
KDM4C Q9H3R0 4/20 0.59
KDM5C P41229 1/20 0.59
KDM5B Q9UGL1 1/20 0.59
GPR84 Q9NQS5 7/20 0.58
PPARG P37231 7/20 0.58
PPARD Q03181 7/20 0.58
PPARA Q07869 7/20 0.58
HDAC11 Q96DB2 5/20 0.58
TSHR P16473 4/20 0.58
PTPN1 P18031 3/20 0.58
ALDH1A1 P00352 2/20 0.58
TLR2 O60603 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
FABP4 P15090 2/20 0.58
SLC22A6 Q4U2R8 1/20 0.58
SLC22A8 Q8TCC7 1/20 0.58
MEN1 O00255 1/20 0.58
ESR1 P03372 1/20 0.58

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
SCHEMBL2808255 0.98 GPR84 (0.61) AKR1B1KDM5AKDM4CKDM5CKDM5B
SCHEMBL8112607 0.98 GPR84 (0.61) AKR1B1KDM5AKDM4CKDM5CKDM5B
SCHEMBL8342893 0.98 GPR84 (0.61) AKR1B1KDM5AKDM4CKDM5CKDM5B
SCHEMBL8065184 0.98 GPR84 (0.61) AKR1B1KDM5AKDM4CKDM5CKDM5B
SCHEMBL2808717 0.98 GPR84 (0.61) AKR1B1KDM5AKDM4CKDM5CKDM5B
SCHEMBL2810087 0.98 GPR84 (0.61) AKR1B1KDM5AKDM4CKDM5CKDM5B
SCHEMBL10890038 0.94 KDM5A (0.61) KDM5AKDM4CKDM5CKDM5BGPR84
SCHEMBL10885965 0.94 KDM5A (0.61) KDM5AKDM4CGPR84PPARGPPARD
SCHEMBL10630552 0.94 KDM5A (0.61) KDM5AKDM4CKDM5CKDM5BGPR84
SCHEMBL8918509 0.93 KDM5A (0.53) AKR1B1KDM5AKDM4CKDM5CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1286612-A Conditioning shampoo compositions PROCTER & GAMBLE (US) 2001-03-07 CN disclosed
CN-1278718-A Conditioning shampoo composition comprising pentaerythritol ester oil PROCTER & GAMBLE (US) 2001-01-03 CN disclosed
WO-2000064411-A1 CONDITIONING SHAMPOO COMPOSITIONS VENKATESWARAN, ANANTHANARYAN 2000-11-02 WO disclosed
WO-2000064410-A1 CONDITIONING SHAMPOO COMPOSITIONS OHTSU, KUMIKO 2000-11-02 WO disclosed
EP-1032354-A1 CONDITIONING SHAMPOO COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-09-06 EP disclosed
EP-1014920-A1 CONDITIONING SHAMPOO COMPOSITION COMPRISING PENTAERYTHRITOL ESTER OIL THE PROCTER & GAMBLE COMPANY (US) 2000-07-05 EP disclosed
WO-2000006094-A1 HAIR CARE COMPOSITION COMPRISING ANTIOXIDANTS THE PROCTER & GAMBLE COMPANY (US) 2000-02-10 WO disclosed
WO-1999039683-A1 ANTI-DANDRUFF SHAMPOO COMPOSITION COMPRISING A COOL-FEELING AGENT THE PROCTER & GAMBLE COMPANY (US) 1999-08-12 WO disclosed
WO-1999024004-A1 CONDITIONING SHAMPOO COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-05-20 WO disclosed
WO-1999024013-A1 CONDITIONING SHAMPOO COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-05-20 WO disclosed
WO-1999013835-A1 CONDITIONING SHAMPOO COMPOSITION COMPRISING HIGH MOLECULAR WEIGHT ESTER OIL THE PROCTER & GAMBLE COMPANY (US) 1999-03-25 WO disclosed
WO-1999013839-A1 CONDITIONING SHAMPOO COMPOSITION COMPRISING PENTAERYTHRITOL ESTER OIL THE PROCTER & GAMBLE COMPANY (US) 1999-03-25 WO disclosed