SCHEMBL9317504

SCHEMBL9317504

CC(CCO)CC(O)C(O)CCCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
SPHK1 Q9NYA1 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2D6 P10635 2/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
BLM P54132 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CETP P11597 1/20 0.31
HTT P42858 1/20 0.31
UBE2N P61088 1/20 0.31

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
SCHEMBL2487460 0.98 TRPA1 (0.41) TRPA1TRPV1SPHK1ALDH1A1ALOX15
SCHEMBL1904032 0.86 TRPA1 (0.45) TRPA1TRPV1ALDH1A1ALOX15LMNA
SCHEMBL6423646 0.82 TRPV1 (0.41) TRPA1TRPV1SPHK1ALDH1A1CYP2D6
SCHEMBL7870407 0.80 TSHR (0.42) TRPA1TRPV1SPHK1CYP2D6GMNN
SCHEMBL19327340 0.78 TSHR (0.46) TRPA1ALDH1A1ALOX15LMNATSHR
SCHEMBL4425494 0.78 THRB (0.38) TRPA1TRPV1SPHK1ALDH1A1CYP2D6
SCHEMBL3399170 0.78 TRPV1 (0.41) TRPA1TRPV1SPHK1ALDH1A1CYP2D6
SCHEMBL28277801 0.77 SMN1; SMN2 (0.48) TRPA1TRPV1SPHK1ALDH1A1CYP2D6
SCHEMBL1761143 0.76 LMNA (0.48) TRPA1TRPV1ALDH1A1ALOX15LMNA
SCHEMBL11346601 0.76 TRPV1 (0.42) TRPA1TRPV1SPHK1ALDH1A1CYP2D6

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-5340902-A Spandex fibers made using low unsaturation polyols OLIN CORPORATION (US) 1994-08-23 US claimed