SCHEMBL13619244

SCHEMBL13619244

C[C@H](O)CCCC[C@@H](C)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
TRPV1 Q8NER1 1/20 0.45
TRPA1 O75762 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 1/20 0.40
LMNA P02545 2/20 0.39
SPHK1 Q9NYA1 1/20 0.38
OPRM1 P35372 1/20 0.33
CSNK2A1 P68400 3/20 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
SCHEMBL2155981 1.00 TSHR (0.47) TSHRTDP1TRPV1TRPA1ALDH1A1
SCHEMBL28576041 1.00 TSHR (0.47) TSHRTDP1TRPV1TRPA1ALDH1A1
SCHEMBL29093375 1.00 TSHR (0.47) TSHRTDP1TRPV1TRPA1ALDH1A1
SCHEMBL29093179 1.00 TSHR (0.47) TSHRTDP1TRPV1TRPA1ALDH1A1
SCHEMBL28576200 1.00 TSHR (0.47) TSHRTDP1TRPV1TRPA1ALDH1A1
SCHEMBL6285447 0.96 TRPV1 (0.50) TSHRTDP1TRPV1TRPA1ALDH1A1
SCHEMBL17002461 0.96 TRPV1 (0.50) TSHRTDP1TRPV1TRPA1ALDH1A1
SCHEMBL7757768 0.96 TRPV1 (0.50) TSHRTDP1TRPV1TRPA1ALDH1A1
SCHEMBL4443550 0.96 TRPV1 (0.50) TSHRTDP1TRPV1TRPA1ALDH1A1
SCHEMBL5136479 0.96 TRPV1 (0.50) TSHRTDP1TRPV1TRPA1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615543-B2 Complexes with C-reactive protein (CRP) molecules; rheumatoid arthritis, juvenile chronic (rheumatoid) arthritis, ankylosing spondylitis, psoriatic arthritis, systemic vasculitis, polymyalgia rheumatica, Reiter's disease, Crohn's disease and familial Mediterranean fever PENTRAXIN THERAPEUTICS LIMITED (GB) 2009-11-10 US disclosed
US-7615543-B2 Complexes with C-reactive protein (CRP) molecules; rheumatoid arthritis, juvenile chronic (rheumatoid) arthritis, ankylosing spondylitis, psoriatic arthritis, systemic vasculitis, polymyalgia rheumatica, Reiter's disease, Crohn's disease and familial Mediterranean fever PENTRAXIN THERAPEUTICS LIMITED (GB) 2009-11-10 US disclosed