SCHEMBL4164545

SCHEMBL4164545

CCCCCCCCCCCCCCCC(CC)OC(C)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.45
SMPD1 P17405 3/20 0.41
GPR84 Q9NQS5 7/20 0.41
FFAR1 O14842 1/20 0.41
LMNA P02545 2/20 0.40
CYP2D6 P10635 2/20 0.38
GMNN O75496 1/20 0.38
POLB P06746 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CETP P11597 1/20 0.38
HTT P42858 1/20 0.38
UBE2N P61088 1/20 0.38
OPRM1 P35372 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
SCHEMBL4939567 0.98 SPHK1 (0.42) SPHK1SMPD1GPR84FFAR1LMNA
SCHEMBL28752174 0.88 SPHK1 (0.45) SPHK1SMPD1GPR84FFAR1LMNA
SCHEMBL25953784 0.85 OPRM1 (0.42) SPHK1SMPD1GPR84LMNAOPRM1
SCHEMBL9501255 0.84 LMNA (0.42) SPHK1SMPD1GPR84FFAR1LMNA
SCHEMBL1931396 0.84 LMNA (0.42) SPHK1SMPD1GPR84FFAR1LMNA
SCHEMBL2848647 0.84 LMNA (0.42) SPHK1SMPD1GPR84FFAR1LMNA
SCHEMBL1068793 0.84 LMNA (0.42) SPHK1SMPD1GPR84FFAR1LMNA
SCHEMBL1931289 0.84 LMNA (0.42) SPHK1SMPD1GPR84FFAR1LMNA
SCHEMBL6417339 0.84 LMNA (0.42) SPHK1SMPD1GPR84FFAR1LMNA
SCHEMBL1932427 0.84 LMNA (0.42) SPHK1SMPD1GPR84FFAR1LMNA

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
US-8541167-B2 Methods and compositions for vaccination SAINT LOUIS UNIVERSITY (US) 2013-09-24 US disclosed
US-20090087451-A1 Methods and Compositions for Vaccination SAINT LOUIS UNIVERSITY (US) 2009-04-02 US disclosed