SCHEMBL9417801

SCHEMBL9417801

CCc1cc(C(C)=O)c(O)cc1OCCCCc1nnn[nH]1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 12/20 0.56
LTB4R2 Q9NPC1 9/20 0.56
NR1H4 Q96RI1 8/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
THRB P10828 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
HTR2B P41595 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
PDE5A O76074 1/20 0.44

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
SCHEMBL9417932 0.99 NR1H4 (0.57) LTB4RLTB4R2NR1H4MEN1ALDH1A1
Ethyl Acetate SCHEMBL27694442 0.94 LTB4R (0.51) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL28763157 0.90 NR1H4 (0.56) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL9417881 0.89 NR1H4 (0.47) LTB4RLTB4R2NR1H4MEN1ALDH1A1
Ly-255283 SCHEMBL4562255 0.80 NR1H4 (0.69) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL9417960 0.80 NR1H4 (0.63) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL10450000 0.80 LTB4R (0.51) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL9417872 0.79 NR1H4 (0.53) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL28763158 0.77 CNR2 (0.43) LTB4RLTB4R2NR1H4
SCHEMBL9417882 0.77 LTB4R (0.50) LTB4RLTB4R2NR1H4MEN1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5294613-A Benzene derivatives of p-substituted ether and acid or ester ELI LILLY AND COMPANY (US) 1994-03-15 US disclosed
US-5098613-A Aromatic ethers for treatment of mammals ELI LILLY AND COMPANY (US) 1992-03-24 US disclosed
US-4945099-A LEUKOTRIENE ANTAGONIST ELI LILLY AND COMPANY (US) 1990-07-31 US disclosed
EP-0276065-B1 ANTI-INFLAMMATORY AGENTS ELI LILLY AND COMPANY (US) 1990-06-06 EP disclosed
EP-0276065-A1 Anti-inflammatory agents ELI LILLY AND COMPANY (US) 1988-07-27 EP disclosed