SCHEMBL28006982

SCHEMBL28006982

CCC=CCCc1ccc(O)cc1.Cc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 3/20 0.40
▸ RARB P10826 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PLK1 P53350 4/20 0.36
▸ PLK3 Q9H4B4 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ TYR P14679 1/20 0.36

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
SCHEMBL28006642 0.90 GPR52 (0.51) GPR52
SCHEMBL28006953 0.84 TDP1 (0.38) RARBTDP1POLBL3MBTL1MEN1
SCHEMBL28006999 0.82 HCAR1 (0.45) GPR52RARBMAPTESR1ESR2
SCHEMBL28006986 0.81 RARB (0.60) RARBMEN1LMNAMAPTKMT2A
SCHEMBL28007037 0.80 IAPP (0.47) RARBTDP1POLBL3MBTL1MEN1
SCHEMBL28954234 0.80 RARB (0.62) RARBMEN1LMNAMAPTKMT2A
SCHEMBL28006950 0.79 IAPP (0.48) RARBPLK1MCL1ESR1ESR2
SCHEMBL28006635 0.79 FNTA (0.46) RARBTDP1POLBL3MBTL1MEN1
SCHEMBL27802244 0.79 ALDH1A1 (0.38) RARBTDP1POLBL3MBTL1MEN1
SCHEMBL28006657 0.77 SELL (0.41) RARBTDP1POLBL3MBTL1MEN1

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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