SCHEMBL9835336

SCHEMBL9835336

CC(C)c1ccc2c(c1)OC(C(C)N)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
OGA O60502 2/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP19A1 P11511 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
HPGD P15428 1/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RNASEH1 O60930 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30
PDK1 Q15118 1/20 0.30

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
SCHEMBL14015641 0.87 OGA (0.35) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL9826104 0.81 AKR1B1 (0.38) ALDH1A1CYP19A1CACNA1C
SCHEMBL9827134 0.81 CYP19A1 (0.37) ALDH1A1HTTCYP19A1HSD17B10LMNA
SCHEMBL9826344 0.78 KYAT1 (0.42) ALDH1A1CYP19A1CYP3A4
SCHEMBL26700318 0.78 OGA (0.49) ALDH1A1GAAOGACHRNB2CHRNA4
SCHEMBL21575914 0.77 OGA (0.35) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL8042053 0.76 CYP19A1 (0.43) CYP19A1HPGDTSHR
SCHEMBL8042060 0.76 CYP19A1 (0.43) CYP19A1HPGDTSHR
SCHEMBL8038143 0.76 CYP19A1 (0.43) CYP19A1HPGDTSHR
SCHEMBL8038148 0.76 CYP19A1 (0.43) CYP19A1HPGDTSHR

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-0283522-B1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-02-27 EP disclosed
US-4932998-A LOW PHYTOTOXICITY FOR PADDY RICE PLANTS IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0283522-A1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-09-28 EP disclosed