SCHEMBL6571736

SCHEMBL6571736

C=Cc1ccc(OC(C)=O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.70
RAB9A P51151 9/20 0.70
SMN1; SMN2 Q16637 7/20 0.70
ALDH1A1 P00352 5/20 0.70
MAPT P10636 6/20 0.47
HPGD P15428 5/20 0.47
KDM4E B2RXH2 5/20 0.47
TDP1 Q9NUW8 3/20 0.47
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.44
IGF2BP2 Q9Y6M1 1/20 0.43
THRB P10828 1/20 0.43
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.38
NFKB1 P19838 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL10943634 0.87 NPC1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL563078 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL10547901 0.81 RAB9A (0.73) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL10543652 0.81 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2228926 0.80 NPC1 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5272875 0.79 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL10729261 0.79 NPC1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
Acetic Acid SCHEMBL6571740 0.78 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9788130 0.78 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL10726283 0.78 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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
EP-0752612-B1 Electrochromic device NIPPON MITSUBISHI OIL CORP (JP) 2004-04-21 EP disclosed
US-5859722-A Electrochromic device NIPPOM OIL CO., LTD (JP) 1999-01-12 US disclosed
EP-0752612-A1 Electrochromic device NIPPON OIL CO., LTD. (JP) 1997-01-08 EP disclosed
US-4812575-A ULTRAVIOLET RADIATION ABSORBER THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1989-03-14 US disclosed