SCHEMBL7743245

SCHEMBL7743245

CC1(C)CC(O)CC(C)(C)N1OCC(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
GRIN2B Q13224 4/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 3/20 0.40
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
MGAM O43451 2/20 0.36
SI P14410 2/20 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
SCHEMBL4986264 0.87 KMT2A (0.38) KMT2ACYP2D6KDM4EOPRM1OPRD1
SCHEMBL11592353 0.79 KMT2A (0.48) ALOX15GRIN2BKMT2ACYP2D6CYP1A2
SCHEMBL13008873 0.78 SLC6A2 (0.38) ALOX15KMT2ACYP2D6LMNAMEN1
SCHEMBL6299647 0.77 KMT2A (0.39) KMT2ACYP2D6
SCHEMBL8182568 0.76 KMT2A (0.35) KMT2ACYP2D6
SCHEMBL6809943 0.76 KMT2A (0.37) ALOX15KMT2ACYP2D6LMNAOPRM1
SCHEMBL3627121 0.75 GSR (0.38) ALOX15KMT2ACYP2D6CYP1A2HIF1A
SCHEMBL4985361 0.75 DHFR (0.41) KMT2AKDM4EGAAMEN1MGAM
SCHEMBL13008743 0.74 KMT2A (0.33) KMT2ACYP2D6
SCHEMBL9042599 0.73 KMT2A (0.33) KMT2ACYP2D6GAA

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
US-6420463-B1 HEAT RESISTANCE, OXIDATION RESISTANCE OR PHOTOSTABILITY CIBA SPECIALTY CHEMICALS CORP. 2002-07-16 US claimed
US-6420562-B2 OXIDATION, HEAT AND RADIATION RESISTANCE CIBA SPECIALITY CHEMICALS CORPORATION 2002-07-16 US claimed