SCHEMBL9325840

SCHEMBL9325840

CCC(N)Oc1cccc(OC(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NSD2 O96028 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PARP10 Q53GL7 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
DHFR P00374 1/20 0.40
TAAR1 Q96RJ0 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL10556469 0.85 TAAR1 (0.51) ALDH1A1SMN1; SMN2L3MBTL1TAAR1
SCHEMBL9326252 0.84 TP53 (0.55) ALDH1A1KDM4ESMN1; SMN2L3MBTL1PARP10
SCHEMBL9327382 0.82 KDM4E (0.49) ALDH1A1KDM4ESMN1; SMN2L3MBTL1TAAR1
SCHEMBL10548438 0.82 MAOB (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL2968363 0.82 RXRA (0.53) ALDH1A1KDM4ENSD2SMN1; SMN2L3MBTL1
SCHEMBL9324031 0.81 ACHE (0.48) ALDH1A1SMN1; SMN2L3MBTL1KMT2AGAA
SCHEMBL9325376 0.81 HDAC4 (0.45) ALDH1A1KDM4EL3MBTL1TAAR1MEN1
SCHEMBL9324036 0.81 KIF11 (0.34) ALDH1A1KDM4EL3MBTL1TAAR1MEN1
SCHEMBL9324046 0.80 KDM4E (0.45) ALDH1A1KDM4ESMN1; SMN2KMT2AGAA
SCHEMBL10549386 0.80 OGG1 (0.50) ALDH1A1KDM4EL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273328-B1 Triazine derivatives and herbicides containing said derivatives IDEMITSU KOSAN CO (JP) 1994-03-09 EP disclosed
US-4844731-A HERBICIDES FOR RICE PADDYS IDEMITSU COMPANY CO., LTD. (JP) 1989-07-04 US disclosed
EP-0273328-A2 Triazine derivatives and herbicides containing said derivatives IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-07-06 EP disclosed