SCHEMBL17043163

SCHEMBL17043163

O=C(NCCCN1CCCC1=O)C(=Cc1ccc(C(=O)NOC2CCCCO2)cc1)COc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ TYRO3 Q06418 3/20 0.37
▸ MET P08581 1/20 0.37
▸ SELP P16109 1/20 0.37
▸ AXL P30530 1/20 0.37
▸ MERTK Q12866 1/20 0.37
▸ TSHR P16473 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
SCHEMBL3815479 1.00 P2RX3 (0.58) P2RX3SMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL17043078 0.90 P2RX3 (0.62) P2RX3L3MBTL1KDM4EHSD17B10ADAMTS4
SCHEMBL17043074 0.90 P2RX3 (0.62) P2RX3L3MBTL1KDM4EHSD17B10ADAMTS4
SCHEMBL1306254 0.87 P2RX3 (0.60) P2RX3L3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL1306250 0.87 P2RX3 (0.60) P2RX3L3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL1306515 0.86 P2RX3 (0.63) P2RX3SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL1306516 0.86 P2RX3 (0.63) P2RX3SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL1305919 0.85 SMN1; SMN2 (0.46) P2RX3SMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL1305922 0.85 SMN1; SMN2 (0.46) P2RX3SMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL1306401 0.85 P2RX3 (0.58) P2RX3L3MBTL1KDM4EALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 — — EP disclosed
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