SCHEMBL9054086

SCHEMBL9054086

CC1(C)CCCC(C)(C)N1C(CC(=O)O)(C(=O)O)N1C(C)(C)CCCC1(C)C.CC1(C)CCCC(C)(C)N1C(CCCCCCCC(=O)O)(C(=O)O)N1C(C)(C)CCCC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.33
FFAR1 O14842 2/20 0.33
CPT2 P23786 1/20 0.33
TSHR P16473 5/20 0.32
LMNA P02545 1/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32
TBXAS1 P24557 2/20 0.32
SCD O00767 1/20 0.32
GPR84 Q9NQS5 7/20 0.32
PPARG P37231 7/20 0.32
PPARD Q03181 7/20 0.32
PPARA Q07869 7/20 0.32
HDAC11 Q96DB2 5/20 0.32
PTPN1 P18031 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TLR2 O60603 2/20 0.32
FABP4 P15090 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32

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
SCHEMBL561947 0.94 TSHR (0.36) TDP1FFAR1TSHRLMNANFKB1
SCHEMBL6068503 0.89 TSHR (0.34) TSHRLMNANFKB1PMP22SCD
SCHEMBL1397335 0.85 TSHR (0.38) TSHRNFKB1ALDH1A1ADRA1A
SCHEMBL4336152 0.82 TSHR (0.36) TSHRNFKB1ALDH1A1MEN1KMT2A
SCHEMBL3853180 0.81
SCHEMBL699481 0.77 TSHR (0.36) TDP1FFAR1TSHRLMNANFKB1
SCHEMBL7032156 0.76 TBXAS1 (0.31) TDP1FFAR1TSHRLMNANFKB1
SCHEMBL994483 0.74 TSHR (0.33) TDP1FFAR1TSHRLMNANFKB1
SCHEMBL11672367 0.72 TSHR (0.35) TSHRNFKB1ALDH1A1MEN1KMT2A
SCHEMBL3065826 0.72 TBXAS1 (0.34) TDP1FFAR1TSHRLMNANFKB1

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
EP-0545865-B1 Stabilizing mixture CIBA GEIGY AG (CH) 1996-02-28 EP disclosed