SCHEMBL4422860

SCHEMBL4422860

CCOCCCCOCC(N)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
USP2 O75604 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.35
TSHR P16473 1/20 0.34
SPHK1 Q9NYA1 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCZ Q05513 1/20 0.32
PRKCD Q05655 1/20 0.32
PRKD1 Q15139 1/20 0.32
LPAR1 Q92633 6/20 0.32

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
SCHEMBL4419652 0.98 HTT (0.44) HTTUSP2ALDH1A1CYP3A4TSHR
SCHEMBL1699179 0.95 HTT (0.36) HTTUSP2ALDH1A1CYP3A4TSHR
SCHEMBL1160884 0.90 ALDH1A1 (0.42) HTTALDH1A1TSHRHSD17B10
SCHEMBL28965774 0.87 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL6464397 0.87 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10
SCHEMBL9229997 0.87 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10
SCHEMBL1157501 0.87 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10
SCHEMBL3443836 0.81 HTT (0.52) HTTUSP2CYP3A4SPHK1CYP1A2
SCHEMBL454517 0.81
SCHEMBL8845606 0.78 TSHR (0.46) HTTUSP2ALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029713-A1 LIQUID DETERGENT COMPOSITIONS WITH LOW POLYDISPERSITY POLYACRYLIC ACID BASED POLYMERS The Procter and Gamble Company (US) 2009-03-04 EP disclosed
WO-2007149806-A1 LIQUID DETERGENT COMPOSITIONS WITH LOW POLYDISPERSITY POLYACRYLIC ACID BASED POLYMERS THE PROCTER & GAMBLE COMPANY (US) 2007-12-27 WO disclosed
EP-1196525-A1 LAUNDRY DETERGENT COMPOSITIONS COMPRISING POLYAMINES AND MID-CHAIN BRANCHED SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 2002-04-17 EP disclosed
WO-2001005924-A1 LAUNDRY DETERGENT COMPOSITIONS COMPRISING POLYAMINES AND MID-CHAIN BRANCHED SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 2001-01-25 WO disclosed