SCHEMBL8385774

SCHEMBL8385774

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.62
ALDH1A1 P00352 3/20 0.61
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
IDO1 P14902 2/20 0.51
MAPT P10636 2/20 0.51
CYP3A4 P08684 2/20 0.50
AKR1C3 P42330 1/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL8383444 0.91 RAB9A (0.56) RAB9AALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL9654481 0.91 RAB9A (0.56) RAB9AALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL27675512 0.89 RAB9A (0.61) RAB9AALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL11147565 0.88 RAB9A (0.62) RAB9AALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL15388876 0.87 RAB9A (0.61) RAB9AALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL10429412 0.86 RAB9A (0.61) RAB9AALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL10429413 0.86 RAB9A (0.61) RAB9AALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL11149226 0.86 RAB9A (0.61) RAB9AALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL9666994 0.86 IDO1 (0.50) RAB9AALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL12814849 0.86 RAB9A (0.60) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962438-A OSTEOPOROSIS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-10-05 US disclosed
EP-0827951-A1 NOVEL BONE-SEEKING ESTROGEN DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-03-11 EP 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