SCHEMBL9826401

SCHEMBL9826401

CC(C)Oc1ccc2cc(C(C)N)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 8/20 0.44
HPGD P15428 7/20 0.44
KDM4E B2RXH2 7/20 0.44
HSD17B10 Q99714 4/20 0.44
GAA P10253 5/20 0.41
CA2 P00918 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAOB P27338 1/20 0.40
GLA P06280 2/20 0.40
CA12 O43570 1/20 0.40
POLB P06746 1/20 0.40
CA9 Q16790 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9826709 0.87 ALDH1A1 (0.37) TP53MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL10460824 0.85 CA2 (0.54) ALDH1A1HPGDKDM4EHSD17B10GAA
SCHEMBL9826700 0.77 CA12 (0.43) MAPTSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL22703865 0.75 HPGD (0.43) TP53MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL9826182 0.75 ALDH1A1 (0.43) MAPTSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL10676305 0.75 KDM4E (0.40) TP53MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL18551615 0.75 MAPT (0.52) TP53MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1390573 0.75 MAOA (0.60) CA2MEN1KMT2AMAOBCA12
7-Isopropoxycoumarin SCHEMBL14329508 0.75 KDM4E (0.69) TP53MAPTALDH1A1HPGDKDM4E
SCHEMBL9826936 0.74 NPC1 (0.41) MAPTALDH1A1KDM4EGAAMEN1

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 2 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