SCHEMBL9017617

SCHEMBL9017617

CCC(CC)(OC)c1cc(N)cc(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
CYP3A4 P08684 3/20 0.37
CYP19A1 P11511 2/20 0.36
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 1/20 0.33
HTR6 P50406 1/20 0.33
NQO2 P16083 1/20 0.33
KIF11 P52732 1/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
Phosphonic Acid SCHEMBL7599302 0.91 ALDH1A1 (0.32) ALDH1A1CYP3A4CYP19A1HTR6
SCHEMBL30448494 0.73 L3MBTL1 (0.45) ALDH1A1CYP3A4TDP1MAPK1MAPT
SCHEMBL130736 0.73 L3MBTL1 (0.45) ALDH1A1CYP3A4TDP1MAPK1MAPT
Phosphonic Acid SCHEMBL5162936 0.71 MARS1 (0.32)
SCHEMBL116606 0.71 ALDH1A1 (0.69) ALDH1A1CYP3A4CYP19A1TDP1MAPK1
SCHEMBL5800828 0.71 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP19A1TDP1MAPK1
SCHEMBL10914094 0.69 CNR2 (0.53)
Ammonia Solution, Strong SCHEMBL10988442 0.69 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP19A1TDP1MAPK1
Hydrochloric Acid SCHEMBL3275940 0.69 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP19A1TDP1MAPK1
SCHEMBL21611343 0.69 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP19A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5538847-A Chemiluminescent 1,2-dioxetanes TROPIX, INC. (US) 1996-07-23 US disclosed
EP-0649417-A1 IMPROVED CHEMILUMINESCENT 1,2-DIOXETANES TROPIX, INC. (US) 1995-04-26 EP disclosed
EP-0649417-A4 IMPROVED CHEMILUMINESCENT 1,2-DIOXETANES. TROPIX INC (US) 1995-02-27 EP disclosed
WO-1994026726-A1 IMPROVED CHEMILUMINESCENT 1,2-DIOXETANES TROPIX, INC. (US) 1994-11-24 WO disclosed