SCHEMBL7752126

SCHEMBL7752126

CCCCCCCCCCCCCCCCCCCCCCC(C)[N+](C)(C)C(C)(CC(=O)O)C(=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
HSPD1 P10809 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
CA1 P00915 2/20 0.40
GPR84 Q9NQS5 7/20 0.38
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ACE2 Q9BYF1 1/20 0.37

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
SCHEMBL98813 1.00 CA2 (0.41) CA2HSPD1BLMHSPE1CA1
SCHEMBL7747690 1.00 CA2 (0.41) CA2HSPD1BLMHSPE1CA1
SCHEMBL97487 1.00 CA2 (0.41) CA2HSPD1BLMHSPE1CA1
SCHEMBL7751708 0.92 FFAR1 (0.42) BLMFFAR1FFAR4
SCHEMBL7752153 0.90 KDM4C (0.34) HSPD1BLMHSPE1CA1FFAR1
SCHEMBL3374615 0.89 CA2 (0.45) CA2CA1GPR84ACE2
SCHEMBL3338797 0.88 TSHR (0.33) CA1
SCHEMBL1007055 0.86 FFAR4 (0.42) CA2CA1GPR84FFAR1FFAR4
SCHEMBL7885777 0.84 FFAR4 (0.47) GPR84FFAR1FFAR4
SCHEMBL10423885 0.84 HSPD1 (0.31) CA2HSPD1BLMHSPE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001039735-A1 CONDITIONING SHAMPOO COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-06-07 WO 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
WO-2000040213-A1 HAIR CONDITIONING LAYERED GEL COMPOSITION CONTAINING A HIGH MELTING POINT COMPOUND THE PROCTER & GAMBLE COMPANY (US) 2000-07-13 WO disclosed
WO-1999062492-A1 HAIR CONDITIONING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-12-09 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