SCHEMBL11809146

SCHEMBL11809146

CC1(C)CCCC(C)(C)N1CCC(CCCCCCCCCC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 8/20 0.42
TSHR P16473 3/20 0.40
NFKB1 P19838 2/20 0.40
CYP2C19 P33261 1/20 0.40
FFAR4 Q5NUL3 1/20 0.36
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GSTK1 Q9Y2Q3 1/20 0.34
LMNA P02545 1/20 0.33
PMP22 Q01453 1/20 0.33
GPR84 Q9NQS5 2/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
TLR2 O60603 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4453278 0.82 TSHR (0.43) TSHRNFKB1CYP2C19FFAR4FFAR1
SCHEMBL11258656 0.82 TSHR (0.37) TSHRNFKB1CYP2C19FFAR4FFAR1
SCHEMBL17537055 0.80 CA2 (0.42) FOLH1TSHRNFKB1CYP2C19FFAR4
Sebacic Acid SCHEMBL28583209 0.79 GPR84 (0.44) TSHRNFKB1CYP2C19FFAR4FFAR1
SCHEMBL716438 0.75 TSHR (0.39) TSHRNFKB1CYP2C19FFAR4FFAR1
Sebacic Acid SCHEMBL8958570 0.75 TSHR (0.56) TSHRNFKB1CYP2C19FFAR4FFAR1
SCHEMBL11769103 0.74 FOLH1 (0.67) FOLH1TSHRNFKB1FFAR4FFAR1
SCHEMBL1234699 0.74 FOLH1 (0.67) FOLH1TSHRNFKB1FFAR4FFAR1
SCHEMBL8639831 0.74 FOLH1 (0.67) FOLH1TSHRNFKB1FFAR4FFAR1
SCHEMBL30681842 0.74 FOLH1 (0.67) FOLH1TSHRNFKB1FFAR4FFAR1

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
US-3975357-A SUBSTITUTED PIPERIDINES SANKYO COMPANY LIMITED (JA) 1976-08-17 US claimed
US-3975357-A SUBSTITUTED PIPERIDINES SANKYO COMPANY LIMITED (JA) 1976-08-17 US disclosed