SCHEMBL9417870

SCHEMBL9417870

CCc1cc(C(=O)CO)ccc1OCCCCCC(C)(C)c1nnn[nH]1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 9/20 0.46
LTB4R Q15722 11/20 0.43
LTB4R2 Q9NPC1 11/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HTR2B P41595 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
PLA2G2D Q9UNK4 1/20 0.40

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
SCHEMBL9417814 0.81 THRA (0.37) NR1H4LTB4RLTB4R2THRBPLA2G2D
SCHEMBL8610596 0.79 NR1H4 (0.67) NR1H4LTB4RLTB4R2MEN1ALDH1A1
Ly-255283 SCHEMBL4562255 0.77 NR1H4 (0.69) NR1H4LTB4RLTB4R2MEN1ALDH1A1
SCHEMBL7646400 0.76 LTB4R (0.71) NR1H4LTB4RLTB4R2
SCHEMBL3033073 0.76 LTB4R (0.41) NR1H4LTB4RLTB4R2THRBPLA2G2D
SCHEMBL9417861 0.76 ALDH1A1 (0.43) LTB4RALDH1A1THRBHPGDPLA2G2D
SCHEMBL7699998 0.75 NR1H4 (0.48) NR1H4LTB4RLTB4R2MEN1ALDH1A1
SCHEMBL9417834 0.75 LTB4R (0.39) NR1H4LTB4RMEN1CYP3A4THRB
SCHEMBL6762700 0.75 ALDH1A1 (0.41) LTB4RALDH1A1THRBHPGDPLA2G2D
SCHEMBL9417938 0.75 PLA2G2D (0.46) LTB4RALDH1A1THRBHPGDPLA2G2D

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 9 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 claimed
US-4945099-A LEUKOTRIENE ANTAGONIST ELI LILLY AND COMPANY (US) 1990-07-31 US claimed
EP-0276065-B1 ANTI-INFLAMMATORY AGENTS ELI LILLY AND COMPANY (US) 1990-06-06 EP claimed
EP-0276065-A1 Anti-inflammatory agents ELI LILLY AND COMPANY (US) 1988-07-27 EP claimed
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