SCHEMBL22738240

SCHEMBL22738240

C=CCCCN(C)CCCCCCCCC=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
CHRM2 P08172 1/20 0.37
MAPT P10636 3/20 0.36
ABCC4 O15439 1/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
HIF1A Q16665 1/20 0.35
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
HPGD P15428 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL1240087 0.85 TSHR (0.48) TSHRCHRM2MAPTABCC4ALDH1A1
SCHEMBL1242584 0.82 TSHR (0.48) TSHRCHRM2MAPTABCC4ALDH1A1
SCHEMBL7354444 0.82 LSS (0.38) TSHRFAAHTRPV1HIF1A
SCHEMBL7522844 0.80 HIF1A (0.53) TSHRFAAHTRPV1MAPTABCC4
SCHEMBL455320 0.80 HIF1A (0.53) TSHRFAAHTRPV1MAPTABCC4
SCHEMBL24287754 0.80 HIF1A (0.53) TSHRFAAHTRPV1MAPTABCC4
SCHEMBL1701705 0.80 HIF1A (0.53) TSHRFAAHTRPV1MAPTABCC4
SCHEMBL9246360 0.80 HIF1A (0.53) TSHRFAAHTRPV1MAPTABCC4
SCHEMBL107549 0.80 HIF1A (0.53) TSHRFAAHTRPV1MAPTABCC4
SCHEMBL5336674 0.80 HIF1A (0.53) TSHRFAAHTRPV1MAPTABCC4

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-2020243540-A1 MACROCYCLIC LIPIDS TRANSLATE BIO, INC. (US) 2020-12-03 WO disclosed