SCHEMBL28854459

SCHEMBL28854459

CCCCCCCCCCCCC(C)C(O)CS(=O)(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.42
TP53 P04637 2/20 0.41
ABCB1 P08183 1/20 0.39
SMPD1 P17405 3/20 0.39
GPR84 Q9NQS5 6/20 0.38
FFAR1 O14842 1/20 0.38
PTPN1 P18031 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.38
CYP2D6 P10635 2/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
BLM P54132 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CETP P11597 1/20 0.36

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
SCHEMBL28405271 0.79 GPR84 (0.46) TP53GPR84FFAR1ZDHHC7
SCHEMBL29043313 0.79 GPR84 (0.46) TP53GPR84FFAR1ZDHHC7
SCHEMBL29805147 0.77 TP53 (0.42) TP53SMPD1GPR84ZDHHC7
SCHEMBL23189496 0.75 GPR84 (0.41) TP53SMPD1GPR84FFAR1ZDHHC7
SCHEMBL18186112 0.73 SPHK1 (0.64) SPHK1TP53GPR84FFAR1PTPN1
SCHEMBL1123628 0.73 SPHK1 (0.64) SPHK1TP53GPR84FFAR1PTPN1
SCHEMBL4956325 0.73 SPHK1 (0.64) SPHK1TP53GPR84FFAR1PTPN1
SCHEMBL20856812 0.73 SPHK1 (0.64) SPHK1TP53GPR84FFAR1PTPN1
SCHEMBL790411 0.73 SPHK1 (0.64) SPHK1TP53GPR84FFAR1PTPN1
SCHEMBL10949925 0.73 SPHK1 (0.64) SPHK1TP53GPR84FFAR1PTPN1

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-105002755-B A kind of quick alkali-resistant penetrant and preparation method thereof 广东灵捷制造化工有限公司 2017-12-29 CN claimed
CN-105002755-B A kind of quick alkali-resistant penetrant and preparation method thereof 广东灵捷制造化工有限公司 2017-12-29 CN disclosed