SCHEMBL10429412

SCHEMBL10429412

[N]OC(=O)CCC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.61
ALDH1A1 P00352 3/20 0.60
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
IDO1 P14902 2/20 0.50
MAPT P10636 1/20 0.50
GAA P10253 1/20 0.49
AKR1C3 P42330 1/20 0.49
HTT P42858 1/20 0.47
HTR2A P28223 1/20 0.47

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
SCHEMBL8385774 0.86 RAB9A (0.62) RAB9AALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL11147565 0.86 RAB9A (0.62) RAB9AALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL15388876 0.86 RAB9A (0.61) RAB9AALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL11149226 0.85 RAB9A (0.61) RAB9AALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL27675512 0.85 RAB9A (0.61) RAB9AALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL10429413 0.85 RAB9A (0.61) RAB9AALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL12814849 0.84 RAB9A (0.60) RAB9AALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL10989032 0.83 RAB9A (0.59) RAB9AALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL28374567 0.83 BCL9 (0.63) RAB9AALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL10748690 0.83 RAB9A (0.62) RAB9AALDH1A1MAPK1L3MBTL1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4956351-A INCLUSION COMPLEXESOFVIRICIDES; RHINITIS; SUSTAINED RELEASE; NONIRRITATING TO MUCOUS MEMBRANE JANSSEN PHARMACEUTICA N.V. FRAME-543 (BE) 1990-09-11 US claimed
EP-0300526-A2 Antiviral pharmaceutical compositions containing cyclodextrins JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-25 EP claimed
US-4401817-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1983-08-30 US claimed
US-4338329-A COMBATTING RHINOVIRUSES ELI LILLY AND COMPANY (US) 1982-07-06 US claimed
US-4289782-A PARTICULARLY FOR INHIBITING GROWTH OF RHINOVIRUSES ELI LILLY AND COMPANY (US) 1981-09-15 US claimed
US-4118742-A VIRICIDES ELI LILLY AND COMPANY (US) 1978-10-03 US claimed
US-4956351-A INCLUSION COMPLEXESOFVIRICIDES; RHINITIS; SUSTAINED RELEASE; NONIRRITATING TO MUCOUS MEMBRANE JANSSEN PHARMACEUTICA N.V. FRAME-543 (BE) 1990-09-11 US disclosed
US-4401817-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1983-08-30 US disclosed
US-4338329-A COMBATTING RHINOVIRUSES ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed
US-4289782-A PARTICULARLY FOR INHIBITING GROWTH OF RHINOVIRUSES ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
US-4230868-A α-Alkyl-α-hydroxybenzyl-substituted 1-sulfonylbenzimidazoles ELI LILLY AND COMPANY (US) 1980-10-28 US disclosed
US-4174454-A VIRICIDES ELI LILLY AND COMPANY (US) 1979-11-13 US disclosed
US-4118742-A VIRICIDES ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed