SCHEMBL9826344

SCHEMBL9826344

COc1ccc2c(c1)OC(C(C)N)C2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KYAT1 Q16773 1/20 0.42
KYAT3 Q6YP21 1/20 0.42
AADAT Q8N5Z0 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CA2 P00918 2/20 0.39
CA5A P35218 1/20 0.39
CYP19A1 P11511 4/20 0.39
MAOB P27338 4/20 0.39
CYP3A4 P08684 1/20 0.39
ACHE P22303 1/20 0.38
KDM1A O60341 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL9826104 0.78 AKR1B1 (0.38) DRD2DRD3CYP19A1MAOBACHE
SCHEMBL9827134 0.78 CYP19A1 (0.37) AADATCYP19A1CYP3A4KDM1AHRH3
SCHEMBL9835336 0.78 ALDH1A1 (0.36) CYP19A1CYP3A4ALDH1A1
SCHEMBL13799416 0.76 ALDH1A1 (0.49) DRD2DRD3CA2CA5ACYP19A1
SCHEMBL4234794 0.74 HRH3 (0.49) KYAT1KYAT3AADATDRD2DRD3
SCHEMBL8042053 0.74 CYP19A1 (0.43) CYP19A1MAOBHTR2A
SCHEMBL8038143 0.74 CYP19A1 (0.43) CYP19A1MAOBHTR2A
SCHEMBL8042060 0.74 CYP19A1 (0.43) CYP19A1MAOBHTR2A
SCHEMBL8038148 0.74 CYP19A1 (0.43) CYP19A1MAOBHTR2A
SCHEMBL8036024 0.74 CYP19A1 (0.43) CYP19A1MAOBHTR2A

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