SCHEMBL7872815

SCHEMBL7872815

C=C(C)C(=O)OCC1CO1.C=C(CCCCCCCCCCCCCCCCCCC)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.40
THRB P10828 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
LPAR1 Q92633 3/20 0.38
LPAR3 Q9UBY5 3/20 0.38
ENPP2 Q13822 2/20 0.37
MGLL Q99685 1/20 0.36

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
SCHEMBL1517917 0.95 ALDH1A1 (0.68) ALDH1A1TSHRTDP1THRBMGLL
Ethylene SCHEMBL3315158 0.94 ALDH1A1 (0.66) ALDH1A1TSHRTDP1THRBMGLL
Stearic Acid SCHEMBL6839156 0.90 ALDH1A1 (0.68) ALDH1A1TSHRTDP1
Hexane SCHEMBL28284072 0.88 ALDH1A1 (0.83) ALDH1A1TSHRTDP1THRBENPP2
SCHEMBL6890384 0.87 ALDH1A1 (0.68) ALDH1A1MGLL
SCHEMBL607207 0.86 ALDH1A1 (0.57) ALDH1A1TDP1LPAR1LPAR3ENPP2
SCHEMBL9441611 0.86 ALDH1A1 (0.57) ALDH1A1TDP1LPAR1LPAR3ENPP2
SCHEMBL866090 0.86 ALDH1A1 (0.57) ALDH1A1TDP1LPAR1LPAR3ENPP2
Acrylonitrile SCHEMBL18118068 0.86 ALDH1A1 (0.56) ALDH1A1TSHRTDP1
SCHEMBL4865011 0.85 ALDH1A1 (0.58) ALDH1A1TDP1LPAR1LPAR3ENPP2

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-6309752-B1 USING FLUOROPOLYMER 3M INNOVATIVE PROPERTIES COMPANY 2001-10-30 US claimed