SCHEMBL11258656

SCHEMBL11258656

CC1(C)CCCC(C)(C)N1CCC(CCCCC(=O)O)C(CCC(=O)O)CCN1C(C)(C)CCCC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
NFKB1 P19838 2/20 0.37
CYP2C19 P33261 1/20 0.37
FFAR4 Q5NUL3 1/20 0.34
FFAR1 O14842 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 2/20 0.33
GSTK1 Q9Y2Q3 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ENPEP Q07075 1/20 0.32
LMNA P02545 2/20 0.31
AKR1B1 P15121 1/20 0.31
PMP22 Q01453 1/20 0.31
UGT2B7 P16662 1/20 0.30

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
SCHEMBL11809146 0.82 FOLH1 (0.42) TSHRNFKB1CYP2C19FFAR4FFAR1
SCHEMBL4453278 0.80 TSHR (0.43) TSHRNFKB1CYP2C19FFAR4FFAR1
Sebacic Acid SCHEMBL28583209 0.77 GPR84 (0.44) TSHRNFKB1CYP2C19FFAR4FFAR1
SCHEMBL994484 0.77 FFAR4 (0.33) TSHRNFKB1CYP2C19FFAR4FFAR1
SCHEMBL2052956 0.74 FFAR4 (0.39) TSHRNFKB1CYP2C19FFAR4FFAR1
Sebacic Acid SCHEMBL8958570 0.73 TSHR (0.56) TSHRNFKB1CYP2C19FFAR4FFAR1
SCHEMBL11809257 0.72 DGKA (0.38) TSHRNFKB1CYP2C19ALDH1A1CYP1A2
SCHEMBL11810335 0.71 DGKA (0.40) TSHRNFKB1CYP2C19FFAR4FFAR1
SCHEMBL716438 0.71 TSHR (0.39) TSHRNFKB1CYP2C19FFAR4FFAR1
SCHEMBL994483 0.70 TSHR (0.33) TSHRNFKB1CYP2C19FFAR4FFAR1

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-4344876-A N-SUBSTITUTED 2,2,6,6-TETRAALYKYL PIPERIDINE PHOTOSTABILIZERS CIBA-GEIGY CORPORATION (US) 1982-08-17 US disclosed