SCHEMBL1972397

SCHEMBL1972397

CCCC(O)C(=O)OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TSHR P16473 4/20 0.39
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 2/20 0.34
NFKB1 P19838 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34
ABCB1 P08183 1/20 0.33

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
SCHEMBL5810641 0.87 LMNA (0.47) LMNATSHRTDP1CYP3A4GPR84
SCHEMBL5807945 0.85 GPR84 (0.53) LMNAGPR84FFAR1ABCB1FAAH
SCHEMBL1278226 0.84 GPR84 (0.57) LMNAGPR84FFAR1ABCB1FAAH
SCHEMBL5813360 0.84 GPR84 (0.57) LMNAGPR84FFAR1ABCB1FAAH
SCHEMBL15876129 0.84 GPR84 (0.57) LMNAGPR84FFAR1ABCB1FAAH
SCHEMBL4981858 0.84 GPR84 (0.57) LMNAGPR84FFAR1ABCB1FAAH
SCHEMBL5810994 0.84 GPR84 (0.57) LMNAGPR84FFAR1ABCB1FAAH
SCHEMBL3420611 0.81 TSHR (0.42) LMNATSHR
SCHEMBL15005637 0.81 ABCB1 (0.34) TSHRCHRM1AKR1A1CHRM3HTR2A
SCHEMBL28407846 0.80 TSHR (0.37) LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
EP-1181008-B1 ANTI-DANDRUFF AND CONDITIONING SHAMPOOS CONTAINING CERTAIN CATIONIC POLYMERS PROCTER & GAMBLE (US) 2011-06-22 EP disclosed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US disclosed
US-20060154173-A1 Resist composition SHOWA DENKO K.K. (JP) 2006-07-13 US disclosed
EP-1644777-A2 RESIST COMPOSITION Showa Denko K.K. (JP) 2006-04-12 EP disclosed
WO-2005047978-A1 AQUEOUS RESIST COMPOSITION SHOWA DENKO K.K. (JP) 2005-05-26 WO disclosed
WO-2005003859-A2 RESIST COMPOSITION SHOWA DENKO K.K. (JP) 2005-01-13 WO disclosed
CN-1129698-A Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-08-28 CN disclosed