SCHEMBL9430787

SCHEMBL9430787

CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[nH]n2)cc1O.[Na]

nearest known ligand 0.98

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 14/20 0.98
LTB4R2 Q9NPC1 13/20 0.98
NR1H4 Q96RI1 7/20 0.81
MEN1 O00255 1/20 0.74
ALDH1A1 P00352 1/20 0.74
CYP3A4 P08684 1/20 0.74
THRB P10828 1/20 0.74
HPGD P15428 1/20 0.74
ALOX15 P16050 1/20 0.74
TSHR P16473 1/20 0.74
HTR2B P41595 1/20 0.74
KMT2A Q03164 1/20 0.74
HSD17B10 Q99714 1/20 0.74
SIGMAR1 Q99720 1/20 0.74

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
SCHEMBL7751099 0.99 LTB4R (1.00) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL9430782 0.98 LTB4R (0.98) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL8655402 0.98 LTB4R (0.98) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL9431503 0.94 LTB4R (0.86) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL9431492 0.92 LTB4R (0.86) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL8653365 0.92 LTB4R (0.86) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL8652398 0.91 LTB4R (0.85) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL8651177 0.90 LTB4R (0.83) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL9431167 0.89 NR1H4 (1.00) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL8653675 0.89 LTB4R (0.82) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5352690-A For asthma, allergies ELI LILLY AND COMPANY (US) 1994-10-04 US disclosed