SCHEMBL7682544

SCHEMBL7682544

CCCCCCCCCCC(O)C(O)C=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.52
CYP2D6 P10635 2/20 0.48
MAPT P10636 2/20 0.48
GMNN O75496 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48
BLM P54132 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CETP P11597 1/20 0.48
HTT P42858 1/20 0.48
UBE2N P61088 1/20 0.48
TRPA1 O75762 1/20 0.47
DDAH1 O94760 1/20 0.47
GAPDH P04406 1/20 0.47
GPR84 Q9NQS5 7/20 0.47

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
SCHEMBL17984933 0.91 TSHR (0.48) SPHK1CYP2D6MAPTGMNNLMNA
SCHEMBL8670737 0.84 SPHK1 (0.46) SPHK1CYP2D6MAPTGMNNLMNA
SCHEMBL9155852 0.84 SPHK1 (0.46) SPHK1CYP2D6MAPTGMNNLMNA
SCHEMBL9161206 0.84 SPHK1 (0.46) SPHK1CYP2D6MAPTGMNNLMNA
SCHEMBL1482657 0.83 FAAH (0.52) MAPTGMNNLMNAPOLBBLM
SCHEMBL8649549 0.82 FPR2 (0.43) SPHK1CYP2D6MAPTGMNNLMNA
SCHEMBL17984947 0.81
SCHEMBL1783266 0.81 SPHK1 (0.55) SPHK1CYP2D6MAPTGMNNLMNA
SCHEMBL9487089 0.81 SPHK1 (0.50) SPHK1CYP2D6MAPTGMNNLMNA
SCHEMBL1781451 0.81 SPHK1 (0.55) SPHK1CYP2D6MAPTGMNNLMNA

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-6448418-B1 Method of epoxidizing olefins BASF AKTIENGESELLSCHAFT (DE) 2002-09-10 US disclosed