SCHEMBL9737478

SCHEMBL9737478

CCc1c(OCCCCCC(C)(C)C#N)cc(O)cc1C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 11/20 0.40
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTR2B P41595 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYSLTR2 Q9NS75 4/20 0.35
CYSLTR1 Q9Y271 4/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL9417857 0.81 NR1H4 (0.60) NR1H4LTB4RLTB4R2ALDH1A1HPGD
SCHEMBL6762699 0.79 LTB4R (0.59) NR1H4LTB4RLTB4R2ALDH1A1HPGD
SCHEMBL9735250 0.75 CNR2 (0.41) CYSLTR2CYSLTR1
SCHEMBL9417910 0.75 LTB4R (0.54) NR1H4LTB4RLTB4R2ALDH1A1HPGD
SCHEMBL10746606 0.74 CYSLTR2 (0.61) MEN1CYP3A4ALOX15TSHRKMT2A
SCHEMBL8568441 0.72 MAOB (0.54) NR1H4MAOB
SCHEMBL8653477 0.71 LTB4R (0.58) NR1H4LTB4RLTB4R2ALDH1A1HPGD
SCHEMBL8650952 0.71 LTB4R (0.59) NR1H4LTB4RLTB4R2ALDH1A1HPGD
SCHEMBL8653050 0.71 LTB4R (0.58) NR1H4LTB4RLTB4R2ALDH1A1HPGD
SCHEMBL8652811 0.70 LTB4R (0.60) NR1H4LTB4RLTB4R2ALDH1A1HPGD

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-5098613-A Aromatic ethers for treatment of mammals ELI LILLY AND COMPANY (US) 1992-03-24 US disclosed