SCHEMBL13345987

SCHEMBL13345987

CC(CC(C)(C)C(=O)O)C(=O)OCCCCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 5/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
FFAR1 O14842 2/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
GPR84 Q9NQS5 7/20 0.36
PPARG P37231 7/20 0.36
PPARD Q03181 7/20 0.36
PPARA Q07869 7/20 0.36
HDAC11 Q96DB2 5/20 0.36
PTPN1 P18031 3/20 0.36
TLR2 O60603 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
FABP4 P15090 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 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
SCHEMBL16438140 0.90 ACACB (0.39) TSHRACACBACACAPPARGPPARA
SCHEMBL6064079 0.86 CYP4F2 (0.39) FFAR4FFAR1ACACBACACAGPR84
SCHEMBL13345989 0.83 FFAR4 (0.38) ALDH1A1TSHRFFAR4FFAR1GPR84
SCHEMBL10049497 0.78 ALDH1A1 (0.52) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL19680351 0.78 ALDH1A1 (0.52) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL12932716 0.76 ALDH1A1 (0.48) ALDH1A1TSHRLMNAFFAR4FFAR1
SCHEMBL9210330 0.76 ALDH1A1 (0.57) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL16393963 0.76 ALDH1A1 (0.57) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL10596593 0.76 ALDH1A1 (0.57) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL15445476 0.74 ALDH1A1 (0.55) ALDH1A1TSHRLMNANFKB1PMP22

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-20100130630-A1 PROCESS FOR PREPARING A TRIBLOCK COPOLYMER COMPRISING A SEMI-CRYSTALLINE AND/OR HYDROLYSABLE BLOCK, AN ELASTOMERIC BLOCK AND AN AMORPHOUS BLOCK ARKEMA FRANCE (FR) 2010-05-27 US disclosed