SCHEMBL28296515

SCHEMBL28296515

CC(C)(C)C(CCCCC(=O)O)CCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTK1 Q9Y2Q3 2/20 0.50
LMNA P02545 2/20 0.48
FFAR4 Q5NUL3 2/20 0.47
FFAR1 O14842 2/20 0.47
TSHR P16473 5/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
ALDH1A1 P00352 3/20 0.46
AKR1B1 P15121 1/20 0.44
ENPEP Q07075 1/20 0.44
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
HDAC11 Q96DB2 5/20 0.43
GPR84 Q9NQS5 4/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 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
SCHEMBL31121755 0.98 LMNA (0.50) GSTK1LMNAFFAR4FFAR1TSHR
SCHEMBL28443836 0.91 LMNA (0.42) GSTK1LMNAFFAR4TSHRNFKB1
SCHEMBL23317917 0.88 FFAR4 (0.65) LMNAFFAR4FFAR1TSHRALDH1A1
SCHEMBL26153354 0.88 FFAR4 (0.65) LMNAFFAR4FFAR1TSHRALDH1A1
SCHEMBL28439228 0.88 HDAC11 (0.46) GSTK1LMNAFFAR4FFAR1TSHR
SCHEMBL7025129 0.87 AKR1B1 (0.44) LMNAFFAR4FFAR1TSHRALDH1A1
SCHEMBL26679389 0.85 HDAC11 (0.40) GSTK1LMNAFFAR4FFAR1TSHR
SCHEMBL19488631 0.84 FFAR4 (0.46) GSTK1LMNAFFAR4FFAR1TSHR
SCHEMBL28383227 0.80 FFAR4 (0.55) FFAR4FFAR1TSHRALDH1A1AKR1B1
SCHEMBL28184367 0.80 FFAR4 (0.55) FFAR4FFAR1TSHRALDH1A1AKR1B1

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
CN-109705294-A A kind of TPU material and preparation method thereof with pearly-lustre and sensitization discoloration effect 东莞市康诚鞋材有限公司 2019-05-03 CN disclosed
CN-109694459-A A kind of sensitization discoloration TPU shoes accessory material and preparation method thereof 东莞市康诚鞋材有限公司 2019-04-30 CN disclosed