SCHEMBL9325836

SCHEMBL9325836

CC(N)COc1cccc(OC(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
NSD2 O96028 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SCN4A P35499 3/20 0.49
LMNA P02545 2/20 0.49
SCN1A P35498 2/20 0.49
SCN5A Q14524 2/20 0.49
SCN9A Q15858 2/20 0.49
TSHR P16473 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
NFKB1 P19838 1/20 0.49
KCNK3 O14649 1/20 0.49
CACNA1F O60840 1/20 0.49
KCNK2 O95069 1/20 0.49
GBA1 P04062 1/20 0.49
MAOA P21397 1/20 0.49

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
SCHEMBL9053577 0.91 SCN4A (0.57) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL13647242 0.85 KDM4E (0.51) KDM4ENSD2ALDH1A1SMN1; SMN2TSHR
SCHEMBL8683297 0.84 TAAR1 (0.61) KDM4EALDH1A1SCN4ALMNASCN1A
SCHEMBL9326248 0.84 CYP3A4 (0.61) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL8683292 0.84 TAAR1 (0.61) KDM4EALDH1A1SCN4ALMNASCN1A
SCHEMBL2968363 0.80 RXRA (0.53) KDM4ENSD2ALDH1A1SMN1; SMN2LMNA
SCHEMBL9124730 0.80 ADRB2 (0.56) SMN1; SMN2SCN4ALMNASCN1ASCN5A
SCHEMBL18295355 0.80 ADRB2 (0.56) SMN1; SMN2SCN4ALMNASCN1ASCN5A
SCHEMBL18295358 0.80 ADRB2 (0.56) SMN1; SMN2SCN4ALMNASCN1ASCN5A
SCHEMBL12124937 0.79 TP53 (0.55) KDM4ENSD2ALDH1A1SMN1; SMN2LMNA

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