SCHEMBL8414742

SCHEMBL8414742

[CH2]C(O)(O)OCCCCCCCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.44
THRB P10828 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 3/20 0.41
LPAR3 Q9UBY5 6/20 0.40
LPAR2 Q9HBW0 5/20 0.40
LPAR1 Q92633 2/20 0.40
NAAA Q02083 1/20 0.40
CES2 O00748 2/20 0.39
GBA1 P04062 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
EPHX1 P07099 1/20 0.38

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
SCHEMBL27436364 0.86 CES1 (0.44) CES1THRBMEN1HTTKMT2A
SCHEMBL27638107 0.84 CES1 (0.42) CES1THRBMEN1HTTKMT2A
SCHEMBL11323980 0.81 CES1 (0.39) CES1THRBMEN1HTTKMT2A
SCHEMBL30634500 0.80 CES1 (0.47) CES1THRBMEN1HTTKMT2A
SCHEMBL1899591 0.78 CES1 (0.45) CES1THRBMEN1HTTKMT2A
SCHEMBL13456958 0.78 CES1 (0.45) CES1THRBMEN1HTTKMT2A
SCHEMBL15308094 0.78 CES1 (0.45) CES1THRBMEN1HTTKMT2A
SCHEMBL28813963 0.78 TSHR (0.40) THRBMEN1HTTKMT2AMAPT
SCHEMBL20145201 0.78 CES1 (0.45) CES1THRBMEN1HTTKMT2A
SCHEMBL18691337 0.78 TSHR (0.40) THRBMEN1HTTKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5928631-A ALSO COMPRISING AN AQUEOUS CARRIER, AN OIL PHASE, E.G. EMOLLIENTS, MOISTURIZERS AND SKIN PROTECTANTS, AND SURFACTANT HAVING A HYDROPHILIC/LIPOPHILIC BALANCE OF 8-18; APPLYING TO THE SKIN AND HAIR; FOOD ODORS, GASOLINE ETC; DEODORIZING THE PROCTER & GAMBLE COMPANY (US) 1999-07-27 US disclosed