SCHEMBL28006960

SCHEMBL28006960

CCCCC(O)Cc1ccc(O)cc1.Cc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.42
▸ RARB P10826 3/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ERAP2 Q6P179 1/20 0.38
▸ LNPEP Q9UIQ6 1/20 0.38
▸ PTGER4 P35408 2/20 0.38
▸ PTGER2 P43116 2/20 0.38
▸ PLK1 P53350 4/20 0.37
▸ PLK3 Q9H4B4 1/20 0.37
▸ KAT8 Q9H7Z6 2/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ PLA2G4B P0C869 1/20 0.37

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
SCHEMBL28006996 0.91 RARB (0.39) RARBPTGER4PTGER2PLA2G4B
SCHEMBL28006638 0.85 MEN1 (0.40) RARBCYP2D6MEN1KMT2ATDP1
SCHEMBL28006972 0.83 TRPV1 (0.45) TRPV1RARBCYP2D6MEN1KMT2A
SCHEMBL28006983 0.82 DPP4 (0.45) TRPV1RARBPTGER4PTGER2PLK1
SCHEMBL28006955 0.82 MEN1 (0.42) CYP2D6MEN1KMT2ATDP1ERAP2
SCHEMBL28006986 0.82 RARB (0.60) RARBMEN1KMT2APLK1PLK3
SCHEMBL28006944 0.81 MEN1 (0.40) RARBCYP2D6MEN1KMT2ATDP1
SCHEMBL27485137 0.81 RARB (0.42) RARBPLA2G4B
SCHEMBL11204396 0.81 RARB (0.54) RARBMEN1KMT2APTGER4PTGER2
SCHEMBL28954234 0.81 RARB (0.62) RARBMEN1KMT2APLK1PLK3

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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