SCHEMBL8097615

SCHEMBL8097615

COc1ccc(Cc2c(N)c(Cc3ccc(OC)cc3)c(Cc3ccc(OC)cc3)c(N)c2Cc2ccc(OC)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
CYP2D6 P10635 1/20 0.65
ATM Q13315 1/20 0.65
LTA4H P09960 2/20 0.57
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
IDO1 P14902 3/20 0.52
AGXT P21549 2/20 0.52
TAAR1 Q96RJ0 1/20 0.52
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.50
SLC6A4 P31645 1/20 0.48
CYP3A4 P08684 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48

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
SCHEMBL1425001 0.81 LTA4H (0.81) ALDH1A1CYP2D6ATMLTA4HLMNA
SCHEMBL27884 0.81 LTA4H (0.81) ALDH1A1CYP2D6ATMLTA4HLMNA
SCHEMBL3044851 0.80 TDP1 (0.73) ALDH1A1CYP2D6ATMLTA4HLMNA
SCHEMBL2981296 0.79 ALDH1A1 (0.56) ALDH1A1CYP2D6ATMLTA4HLMNA
Ammonia Solution, Strong SCHEMBL20919857 0.79 LTA4H (0.77) ALDH1A1CYP2D6ATMLTA4HLMNA
SCHEMBL10966990 0.78 LTA4H (0.57) ALDH1A1CYP2D6ATMLTA4HLMNA
SCHEMBL15455608 0.78 LTA4H (0.57) ALDH1A1CYP2D6ATMLTA4HLMNA
SCHEMBL28872975 0.78 LTA4H (0.57) ALDH1A1CYP2D6ATMLTA4HLMNA
Hydrochloric Acid SCHEMBL7522555 0.77 ALDH1A1 (0.68) ALDH1A1CYP2D6ATMLTA4HLMNA
Hydrochloric Acid SCHEMBL2984769 0.77 ALDH1A1 (0.54) ALDH1A1CYP2D6ATMLTA4HLMNA

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-1060224-A1 NEAR INFRARED-ABSORBING ELECTROCHROMIC COMPOUNDS AND DEVICES COMPRISING SAME GENTEX CORPORATION (US) 2000-12-20 EP disclosed
WO-1999045081-A1 NEAR INFRARED-ABSORBING ELECTROCHROMIC COMPOUNDS AND DEVICES COMPRISING SAME GENTEX CORPORATION (US) 1999-09-10 WO disclosed