SCHEMBL10769705

SCHEMBL10769705

Cc1cc(C)c(C)c(CCCCCC(=O)O)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 3/20 0.53
FABP4 P15090 3/20 0.51
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 5/20 0.46
LMNA P02545 1/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
SCD O00767 1/20 0.46
GPR84 Q9NQS5 6/20 0.43
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
HDAC11 Q96DB2 5/20 0.43
ALDH1A1 P00352 2/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
PTPN1 P18031 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43

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
SCHEMBL7330244 0.86 F13A1 (0.47) F13A1FABP4MAPTRXFP1NPSR1
SCHEMBL7319898 0.86 F13A1 (0.47) F13A1FABP4MAPTRXFP1NPSR1
SCHEMBL7329199 0.86 F13A1 (0.47) F13A1FABP4MAPTRXFP1NPSR1
SCHEMBL7564106 0.79 F13A1 (0.51) F13A1MAPTRXFP1NPSR1TSHR
SCHEMBL8812768 0.79 TSHR (0.67) F13A1FABP4MAPTRXFP1TSHR
SCHEMBL7321876 0.75 PLA2G2A (0.51) F13A1FABP4TSHRLMNANFKB1
SCHEMBL7329390 0.75 PLA2G2A (0.51) F13A1FABP4TSHRLMNANFKB1
SCHEMBL4456709 0.74 RXFP1 (0.50) F13A1MAPTRXFP1TSHRLMNA
SCHEMBL10403682 0.74 GPR84 (0.74) FABP4MAPTNPSR1TSHRLMNA
SCHEMBL10404966 0.74 GPR84 (0.74) FABP4MAPTNPSR1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0228429-A1 Film aggregate having electrically conducting properties K & V LICENCING OY (FI) 1987-07-15 EP disclosed
WO-1987000343-A1 FILM AGGREGATE AND NEW COMPOUNDS THEREFOR KSV-CHEMICALS OY (FI) 1987-01-15 WO disclosed