SCHEMBL28006953

SCHEMBL28006953

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RARB P10826 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 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
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 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
SCHEMBL28006617 0.90 TOP1 (0.43) TDP1POLBL3MBTL1RARBKMT2A
SCHEMBL28006982 0.84 GPR52 (0.40) TDP1POLBL3MBTL1RARBMEN1
SCHEMBL28006631 0.83 HCAR1 (0.45) RARBCA12CA1CA2CA3
SCHEMBL28006986 0.80 RARB (0.60) RARBMEN1LMNAMAPTKMT2A
SCHEMBL28954234 0.79 RARB (0.62) RARBMEN1LMNAMAPTKMT2A
Butane SCHEMBL27422579 0.78 TSHR (0.47) TDP1POLBL3MBTL1RARBMEN1
SCHEMBL28006950 0.78 IAPP (0.48) RARBSELLSELPHSD17B3
SCHEMBL3920915 0.78 ESR1 (0.44) LMNAKMT2AALDH1A1CNR1CNR2
SCHEMBL3920909 0.78 ESR1 (0.44) LMNAKMT2AALDH1A1CNR1CNR2
SCHEMBL27520125 0.77 ALDH1A1 (0.41) TDP1POLBL3MBTL1RARBALDH1A1

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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