SCHEMBL27486205

SCHEMBL27486205

C=C(CCCCCCCCCCCCCC)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.46
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
GPR84 Q9NQS5 6/20 0.37
PPARG P37231 6/20 0.37
PPARD Q03181 6/20 0.37
PPARA Q07869 6/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
PTPN1 P18031 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL30835521 0.98 NAAA (0.47) NAAAGNAI3GNAO1GNAI1CES2
SCHEMBL30835528 0.98 NAAA (0.47) NAAAGNAI3GNAO1GNAI1CES2
SCHEMBL30835526 0.96 NAAA (0.44) NAAAGNAI3GNAO1GNAI1TDP1
SCHEMBL30835525 0.89 NAAA (0.42) NAAAMEN1KMT2A
SCHEMBL4488617 0.80 NAAA (0.36) NAAACES2CES1ALDH1A1
SCHEMBL26836259 0.80 LMNA (0.37) NAAAGNAI3GNAO1GNAI1MEN1
SCHEMBL19335953 0.79 NAAA (0.45) NAAA
SCHEMBL16702937 0.77 NAAA (0.50) NAAACES2CES1
SCHEMBL1524495 0.77 NAAA (0.47) NAAACES2CES1GPR84PPARG
SCHEMBL2126800 0.75 NAAA (0.55) NAAACES2CES1GPR84PPARG

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-1200963-C Contraction film SUMITOMO CHEMICAL CO (JP) 2005-05-11 CN disclosed
CN-1280999-A Contraction film SUMITOMO CHEMICAL CO (JP) 2001-01-24 CN disclosed