SCHEMBL4082897

SCHEMBL4082897

CC(S)OCCCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.42
SLC22A6 Q4U2R8 2/20 0.42
TSHR P16473 7/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
AKR1B1 P15121 1/20 0.39
FOLH1 Q04609 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
GPR84 Q9NQS5 4/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
PTPN1 P18031 2/20 0.38
SLC22A8 Q8TCC7 1/20 0.38

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
SCHEMBL172715 0.82 ALDH1A1 (0.46) ALDH1A1LMNASLC22A6TSHRNFKB1
SCHEMBL2996964 0.78 GABRP (0.46) ALDH1A1LMNASLC22A6TSHRNFKB1
SCHEMBL8400576 0.78 ALDH1A1 (0.43) ALDH1A1LMNASLC22A6TSHRNFKB1
SCHEMBL23743656 0.77 PAOX (0.40) ALDH1A1LMNAHDAC11TDP1
SCHEMBL2682110 0.77 AKR1B1 (0.43) ALDH1A1LMNASLC22A6TSHRAKR1B1
SCHEMBL14018898 0.76 ALDH1A1 (0.56) ALDH1A1LMNASLC22A6TSHRNFKB1
SCHEMBL26547452 0.75 TSHR (0.43) ALDH1A1LMNASLC22A6TSHRNFKB1
SCHEMBL8986739 0.75 AKR1B1 (0.52) ALDH1A1LMNASLC22A6TSHRAKR1B1
SCHEMBL12677777 0.74 AKR1B1 (0.44) ALDH1A1LMNASLC22A6TSHRNFKB1
SCHEMBL18993011 0.74 ALDH1A1 (0.59) ALDH1A1LMNASLC22A6TSHRNFKB1

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
WO-2009078813-A1 METHOD OF FORMING OSELTAMIVIR AND DERIVATIVES THEREOF NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2009-06-25 WO disclosed