SCHEMBL7752153

SCHEMBL7752153

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.34
KDM4A O75164 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BBOX1 O75936 1/20 0.31
CA1 P00915 2/20 0.31
BLM P54132 2/20 0.31
HSPD1 P10809 1/20 0.31
HSPE1 P61604 1/20 0.31

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
SCHEMBL7752126 0.90 CA2 (0.41) FFAR1CA1BLMHSPD1HSPE1
SCHEMBL7747690 0.90 CA2 (0.41) FFAR1CA1BLMHSPD1HSPE1
SCHEMBL97487 0.90 CA2 (0.41) FFAR1CA1BLMHSPD1HSPE1
SCHEMBL98813 0.90 CA2 (0.41) FFAR1CA1BLMHSPD1HSPE1
SCHEMBL11132232 0.85 CPB2 (0.33) BBOX1
SCHEMBL3338797 0.83 TSHR (0.33) TDP1BBOX1CA1
SCHEMBL7751708 0.83 FFAR1 (0.42) FFAR1TDP1BLM
SCHEMBL3374615 0.78 CA2 (0.45) CA1
SCHEMBL623453 0.77 ALDH1A1 (0.33)
SCHEMBL1007055 0.76 FFAR4 (0.42) FFAR1TDP1CA1

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 6 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