SCHEMBL8943288

SCHEMBL8943288

C=CCOc1cnc(-c2ccc(O)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
RAB9A P51151 3/20 0.52
GAA P10253 5/20 0.43
MGAM O43451 4/20 0.43
SI P14410 4/20 0.43
MGAM2 Q2M2H8 4/20 0.43
ALDH2 P05091 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MAPT P10636 7/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL9615316 0.89 NPC1 (0.61) NPC1MEN1KMT2ARAB9AGAA
SCHEMBL9284642 0.89 NPC1 (0.61) NPC1MEN1KMT2ARAB9AGAA
SCHEMBL9284657 0.88 MAPT (0.48) NPC1MEN1KMT2ARAB9AMAPT
SCHEMBL9337494 0.87 MAPT (0.44) NPC1MEN1KMT2ARAB9AGAA
SCHEMBL9618725 0.81 GAA (0.44) NPC1MEN1KMT2ARAB9AGAA
SCHEMBL3421079 0.80 GAA (0.55) NPC1MEN1KMT2ARAB9AGAA
SCHEMBL10451577 0.80 ALDH1A1 (0.39) MAOBMAPTALDH1A1KDM4EMAPK1
SCHEMBL261038 0.78 CA12 (0.53) NPC1MEN1KMT2ARAB9AGAA
SCHEMBL9551295 0.77 NPC1 (0.57) NPC1MEN1KMT2ARAB9AALDH2
SCHEMBL8943415 0.77 NPC1 (0.45) NPC1MEN1KMT2ARAB9AALDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4297462-A None JP disclosed
EP-0467721-B1 Optically active compound having a delta- valerolactone ring and liquid crystal composition containing same MITSUBISHI RAYON CO (JP) 1996-03-27 EP disclosed
US-5480580-A COMPOUNDS FOR VISUAL AIDS WITH GOOD STABILITY MITSUBISHI RAYON COMPANY LTD. (JP) 1996-01-02 US disclosed
US-5395553-A Liquid crystalline compounds, liquid crystal compositions containing the same and use thereof DAISO CO., LTD. (JP) 1995-03-07 US disclosed
EP-0410447-B1 Liquid crystalline compounds, liquid crystal compositions containing the same and use thereof DAISO CO LTD (JP) 1994-11-17 EP disclosed
US-5338482-A Liquid crystalline compounds, liquid crystal compositions containing the same and use thereof DAISO CO., LTD. (JP) 1994-08-16 US disclosed
US-5324450-A Stable optically active glycidyl ether derivatives DAISO CO., LTD. (JP) 1994-06-28 US disclosed
US-5308540-A REACTING AN OPTICALLY ACTIVE GLYCIDYL ETHER WITH A MALONATE IN THE PRESENCE OF A BASE IN AN ORGANIC SOLVENT TO PRODUCE A COMPOUND HAVING AN OPTICALLY ACTIVE LACTONE RING DAISO CO., LTD. (JP) 1994-05-03 US disclosed
EP-0355830-B1 Liquid crystal composition and use thereof DAISO CO LTD (JP) 1994-04-27 EP disclosed
EP-0306919-B1 LIQUID CRYSTALLINE COMPOUNDS AND PROCESS FOR PRODUCTION THEREOF DAISO CO., LTD. (JP) 1993-02-17 EP disclosed
JP-H04297462-A PYRIMIDINE DERIVATIVE MITSUBISHI KASEI CORP 1992-10-21 JP disclosed
EP-0467721-A1 Optically active compound having a delta- valerolactone ring and liquid crystal composition containing same MITSUBISHI RAYON CO., LTD (JP) 1992-01-22 EP disclosed
EP-0410447-A2 Liquid crystalline compounds, liquid crystal compositions containing the same and use thereof DAISO CO., LTD. (JP) 1991-01-30 EP disclosed
US-4973425-A ELECTROOPTICS DAISO CO., LTD. (JP) 1990-11-27 US disclosed
US-4909957-A Containing lactone ring structure DAISO CO., LTD. (JP) 1990-03-20 US disclosed