SCHEMBL8792152

SCHEMBL8792152

CCOC(=O)CCn1cc(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.61
POLB P06746 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CNR1 P21554 8/20 0.56
IRAK4 Q9NWZ3 2/20 0.54
CNR2 P34972 4/20 0.50
IRAK1 P51617 1/20 0.47
ALDH1A1 P00352 5/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL8797699 0.94 CNR1 (0.64) CREBBPPOLBL3MBTL1CNR1IRAK4
SCHEMBL8792304 0.94 CNR1 (0.65) CREBBPPOLBL3MBTL1CNR1IRAK4
SCHEMBL9381431 0.89 CNR1 (0.57) CREBBPPOLBL3MBTL1CNR1IRAK4
SCHEMBL9334417 0.86 CNR1 (0.63) CREBBPPOLBL3MBTL1CNR1CNR2
SCHEMBL8792799 0.84 CREBBP (0.65) CREBBPPOLBL3MBTL1CNR1CNR2
SCHEMBL8792292 0.84 CNR1 (0.51) CREBBPPOLBL3MBTL1CNR1IRAK4
SCHEMBL8792323 0.83 CNR1 (0.64) CREBBPPOLBL3MBTL1CNR1CNR2
SCHEMBL8792747 0.82 SRD5A1 (0.58) CREBBPCNR1IRAK4CNR2KMT2A
SCHEMBL9384929 0.80 CNR1 (0.47) POLBL3MBTL1CNR1IRAK4CNR2
SCHEMBL9337536 0.79 CNR1 (0.52) CREBBPCNR1IRAK4ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
EP-0458207-B1 Indole derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-03-26 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed
CN-1030701-C Indole derivatives and process for production thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-01-17 CN disclosed
EP-0603278-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-29 EP disclosed
US-5312829-A Testosterone 5alpha-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-17 US disclosed
US-5212320-A Enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-18 US disclosed
WO-1993005019-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-18 WO disclosed
EP-0458207-A2 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-27 EP disclosed