SCHEMBL8980690

SCHEMBL8980690

COc1ccc(C(=O)NCCO)c(O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPT P10636 1/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
HPGD P15428 5/20 0.57
CYP3A4 P08684 2/20 0.57
MAPK1 P28482 2/20 0.57
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
HSD17B10 Q99714 2/20 0.55
KLKB1 P03952 1/20 0.54
AKR1B10 O60218 1/20 0.53
AKR1B1 P15121 1/20 0.53
APP P05067 2/20 0.52
LMNA P02545 2/20 0.51
CYP1A2 P05177 2/20 0.51
PGR P06401 2/20 0.51

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
SCHEMBL8981619 0.88 KDM4E (0.57) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL4579120 0.86 KDM4E (0.68) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL8981469 0.85 ALDH1A1 (0.55) RAB9AALDH1A1KDM4EMAPTCASP1
SCHEMBL3196899 0.85 RAB9A (0.55) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL13293960 0.84 TAS1R3 (0.63) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL3236742 0.84 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1HPGDCYP3A4
SCHEMBL11214981 0.83 APP (0.67) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL15390317 0.83 NPC1 (0.53) RAB9ANPC1ALDH1A1HPGDCYP3A4
SCHEMBL4913264 0.82 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTCASP1CASP7
SCHEMBL11324398 0.82 NPC1 (0.72) RAB9ANPC1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711286-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.p.A. (IT) 1996-05-15 EP disclosed
WO-1995004048-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.P.A. (IT) 1995-02-09 WO disclosed