SCHEMBL16392408

SCHEMBL16392408

C=CCCOc1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ AGXT P21549 2/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ALOX5 P09917 1/20 0.50
▸ HDAC1 Q13547 1/20 0.49
▸ PPARG P37231 2/20 0.49
▸ HTT P42858 1/20 0.47
▸ PTPN7 P35236 1/20 0.47
▸ HRH3 Q9Y5N1 5/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL16902851 0.82 TDP1 (0.87) KDM4ETDP1MAPK1AGXTNPC1
SCHEMBL4180525 0.81 KDM4E (0.61) KDM4ETDP1MAPK1AGXTNPC1
SCHEMBL9064388 0.81 KDM4E (0.61) KDM4ETDP1MAPK1AGXTNPC1
SCHEMBL30541768 0.81 CA12 (0.57) KDM4ETDP1MAPK1AGXTNPC1
SCHEMBL470906 0.81 CA12 (0.57) KDM4ETDP1MAPK1AGXTNPC1
SCHEMBL22367610 0.80 ALDH1A1 (0.44) KDM4ETDP1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL757853 0.80 KDM4E (0.65) KDM4ETDP1MAPK1AGXTNPC1
SCHEMBL29429997 0.80 TDP1 (0.76) KDM4ETDP1MAPK1AGXTNPC1
SCHEMBL8565990 0.80 TDP1 (0.76) KDM4ETDP1MAPK1AGXTNPC1
SCHEMBL1859481 0.80 TDP1 (0.76) KDM4ETDP1MAPK1AGXTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232630-B Copper-catalyzed synthesis method of alkenyl boron ester 上海交通大学 2021-01-01 — — CN claimed
EP-4688743-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY University of Virginia Patent Foundation (US) 2026-02-11 — — EP disclosed
WO-2024206153-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2024-10-03 — — WO disclosed
CN-109232630-B Copper-catalyzed synthesis method of alkenyl boron ester 上海交通大学 2021-01-01 — — CN disclosed
WO-2015004485-A1 THERAPEUTIC COMPOUNDS ISIS INNOVATION LIMITED (GB) 2015-01-15 — — WO disclosed
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