SCHEMBL28006635

SCHEMBL28006635

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.46
▸ FNTB P49356 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CA2 P00918 2/20 0.39
▸ CAMK2A Q9UQM7 1/20 0.39
▸ SELL P14151 1/20 0.39
▸ SELP P16109 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ CA4 P22748 1/20 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
SCHEMBL28006629 0.89 CES2 (0.47) FNTAFNTBTDP1POLBL3MBTL1
SCHEMBL28007037 0.81 IAPP (0.47) TDP1POLBL3MBTL1SELLSELP
SCHEMBL28006986 0.79 RARB (0.60) MEN1LMNAMAPTKMT2AALDH1A1
SCHEMBL28006982 0.79 GPR52 (0.40) TDP1POLBL3MBTL1CA2SELL
Propionic Acid SCHEMBL27786631 0.78 TSHR (0.46) TDP1POLBL3MBTL1RAB9AMEN1
SCHEMBL28954234 0.78 RARB (0.62) MEN1LMNAMAPTKMT2AALDH1A1
SCHEMBL108493 0.78 FNTA (0.67) FNTAFNTBCA2CAMK2ARAB9A
Butane SCHEMBL27422579 0.76 TSHR (0.47) TDP1POLBL3MBTL1RAB9AMEN1
Alcohol SCHEMBL27614988 0.76 TSHR (0.47) TDP1POLBL3MBTL1RAB9AMEN1
SCHEMBL69633 0.76 TSHR (0.53) TDP1POLBL3MBTL1CA2MEN1

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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