SCHEMBL28056771

SCHEMBL28056771

CCOC(=O)CCCN1CCOCC1=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ TSHR P16473 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ ABL1 P00519 1/20 0.45
▸ RIN1 Q13671 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ TNF P01375 9/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ FKBP1A P62942 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ GRM4 Q14833 1/20 0.38

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
SCHEMBL2825160 0.82 TSHR (0.45) L3MBTL1RAB9ATSHRLMNAPOLB
SCHEMBL2950398 0.82 GLA (0.49) L3MBTL1RAB9ATSHRLMNAPOLB
SCHEMBL27339301 0.78 ALDH1A1 (0.49) L3MBTL1RAB9ATSHRALDH1A1TNF
SCHEMBL11701401 0.77 TSHR (0.39) RAB9ATSHRLMNAPOLBALDH1A1
SCHEMBL17662300 0.77 GLA (0.45) TSHRPOLB
SCHEMBL1127670 0.76 L3MBTL1 (0.63) L3MBTL1RAB9ATSHRLMNAPOLB
SCHEMBL3970458 0.76 ALDH1A1 (0.41) RAB9ATSHRLMNAALDH1A1CYP1A2
SCHEMBL1403598 0.75 NAAA (0.47) L3MBTL1RAB9ATSHRLMNAPOLB
SCHEMBL2954981 0.75 GLA (0.42) TSHRLMNAPOLBALDH1A1CYP1A2
SCHEMBL1446480 0.74 PRKAB2 (0.39) L3MBTL1TSHRPOLBALDH1A1

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-105732637-B Heteroaromatic compounds and their use in medicine 广东东阳光药业有限公司 2020-04-21 — — CN disclosed
CN-105732637-A Hetero-aromatic compounds and applications thereof in pharmacy 广东东阳光药业有限公司 2016-07-06 — — CN disclosed
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