SCHEMBL28006955

SCHEMBL28006955

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ ERAP2 Q6P179 1/20 0.40
▸ LNPEP Q9UIQ6 1/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ TYR P14679 1/20 0.37
▸ DRD1 P21728 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
SCHEMBL28006638 0.90 MEN1 (0.40) MEN1KMT2ATDP1CYP2D6ERAP2
SCHEMBL28006964 0.90 TRPA1 (0.44) MEN1KMT2ATDP1L3MBTL1POLB
SCHEMBL28006960 0.82 TRPV1 (0.42) MEN1KMT2ATDP1CYP2D6ERAP2
SCHEMBL28006944 0.82 MEN1 (0.40) MEN1KMT2ATDP1CYP2D6ERAP2
SCHEMBL28007004 0.80 ALDH1A1 (0.39) MEN1KMT2ATDP1L3MBTL1POLB
SCHEMBL28006635 0.77 FNTA (0.46) MEN1KMT2ATDP1L3MBTL1POLB
SCHEMBL28006986 0.77 RARB (0.60) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL28954234 0.76 RARB (0.62) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL107120 0.76 ESR1 (0.57) TDP1CYP2D6LMNAMAPTPGR
SCHEMBL27356485 0.75 ACE2 (0.43) MEN1KMT2ATDP1L3MBTL1POLB

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
CN-107208120-A Rapid pretreatment 斯威特沃特能源公司 2017-09-26 — — CN disclosed
CN-104428421-A Process for using tobacco KIND CONSUMER LTD 2015-03-18 — — CN disclosed
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