SCHEMBL28006947

SCHEMBL28006947

CCCC(=O)CCc1ccc(O)cc1.Cc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IAPP P10997 3/20 0.52
▸ HCAR1 Q9BXC0 1/20 0.46
▸ TRPV1 Q8NER1 2/20 0.45
▸ TPMT P51580 1/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HSD17B3 P37058 1/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ SLC5A1 P13866 2/20 0.40
▸ SLC5A2 P31639 2/20 0.40
▸ RARB P10826 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ SLC16A3 O15427 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL28006637 0.89 TDP1 (0.51) IAPPHCAR1TPMTFFAR1TDP1
SCHEMBL1053043 0.83 IAPP (0.66) IAPPTRPV1TDP1HSD17B3SLC5A1
SCHEMBL28006950 0.82 IAPP (0.48) IAPPTRPV1HSD17B3RARBESR1
SCHEMBL28006626 0.78 DPP4 (0.46) HCAR1TRPV1TPMTRARBMEN1
SCHEMBL28006616 0.77 HCAR1 (0.43) HCAR1TRPV1TPMTTDP1L3MBTL1
SCHEMBL28006999 0.77 HCAR1 (0.45) HCAR1TPMTFFAR1RARBALDH1A1
SCHEMBL1051720 0.77 IAPP (0.61) IAPPFFAR1TDP1L3MBTL1CCR5
SCHEMBL8108885 0.74 ESR1 (0.62) IAPPTRPV1TDP1L3MBTL1SLC5A1
SCHEMBL28006631 0.74 HCAR1 (0.45) HCAR1TPMTHSD17B3RARBALDH1A1
SCHEMBL27921443 0.74 IAPP (0.68) IAPPTRPV1HSD17B3KDM4EALDH1A1

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
CN-104428421-A Process for using tobacco KIND CONSUMER LTD 2015-03-18 — — CN disclosed
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