SCHEMBL28006950

SCHEMBL28006950

CCCC(=O)CCc1ccc(O)cc1.Cc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IAPP P10997 2/20 0.48
▸ RARB P10826 3/20 0.43
▸ TRPV1 Q8NER1 1/20 0.41
▸ SELL P14151 1/20 0.41
▸ SELP P16109 1/20 0.41
▸ SELE P16581 1/20 0.41
▸ HSD17B3 P37058 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.39
▸ PLA2G4B P0C869 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ PLK1 P53350 3/20 0.39

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
SCHEMBL28007037 0.91 IAPP (0.47) IAPPRARBTRPV1SELLSELP
SCHEMBL28006639 0.90 L3MBTL1 (0.43) IAPPRARBSELLSELPSELE
SCHEMBL28006986 0.85 RARB (0.60) RARBESR1PLK1
SCHEMBL28954234 0.84 RARB (0.62) RARBESR1PLK1
SCHEMBL28006657 0.82 SELL (0.41) RARBTRPV1SELLSELPSELE
SCHEMBL28006947 0.82 IAPP (0.52) IAPPRARBTRPV1HSD17B3PLA2G4B
SCHEMBL28006640 0.81 L3MBTL1 (0.44) IAPPRARBSELLSELPSELE
SCHEMBL28006983 0.81 DPP4 (0.45) RARBTRPV1MCL1ESR1ESR2
SCHEMBL28006944 0.80 MEN1 (0.40) RARBSELLSELPSELEHSD17B3
SCHEMBL1053043 0.79 IAPP (0.66) IAPPTRPV1HSD17B3ESR1ESR2

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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