SCHEMBL8523169

SCHEMBL8523169

CCCCCOc1ccccc1CCCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.55
LTB4R2 Q9NPC1 1/20 0.55
ALOX5 P09917 1/20 0.53
PTGS2 P35354 1/20 0.53
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LIPG Q9Y5X9 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
CHRM2 P08172 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA2A P08913 1/20 0.50

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
SCHEMBL6547809 0.98 LTB4R (0.57) LTB4RLTB4R2ALOX5PTGS2THRA
SCHEMBL6550542 0.98 LTB4R (0.57) LTB4RLTB4R2ALOX5PTGS2THRA
SCHEMBL6549162 0.98 LTB4R (0.57) LTB4RLTB4R2ALOX5PTGS2THRA
SCHEMBL6550074 0.98 LTB4R (0.57) LTB4RLTB4R2ALOX5PTGS2THRA
SCHEMBL9489161 0.98 LTB4R (0.57) LTB4RLTB4R2ALOX5PTGS2THRA
SCHEMBL9098888 0.98 LTB4R (0.57) LTB4RLTB4R2ALOX5PTGS2THRA
SCHEMBL11043183 0.98 LTB4R (0.57) LTB4RLTB4R2ALOX5PTGS2THRA
SCHEMBL6669407 0.94 THRA (0.55) LTB4RLTB4R2ALOX5PTGS2THRA
SCHEMBL11344012 0.94 THRA (0.55) LTB4RLTB4R2ALOX5PTGS2THRA
SCHEMBL16933732 0.94 LTB4R (0.53) LTB4RLTB4R2ALOX5PTGS2THRA

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-1999065309-A1 METHODS FOR INCREASING LEVELS OF ACETYLCHOLINE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed