SCHEMBL6683348

SCHEMBL6683348

NC(=O)N(SC12CC3CC(CC(C3)C1)C2)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.47
ALDH1A1 P00352 5/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 2/20 0.38
LMNA P02545 3/20 0.36
THRB P10828 2/20 0.36
POLB P06746 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C9 P11712 1/20 0.35
NPC1 O15118 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
EPHX2 P34913 1/20 0.34
SIGMAR1 Q99720 2/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32

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
SCHEMBL6683342 0.90 EPHX1 (0.43) EPHX1ALDH1A1ALOX15TSHRLMNA
SCHEMBL3068649 0.89 EPHX1 (0.42) EPHX1ALDH1A1ALOX15TSHRLMNA
SCHEMBL7078368 0.80 EPHX1 (0.37) EPHX1
SCHEMBL3073736 0.73 EPHX1 (0.36) EPHX1ALDH1A1ALOX15TSHRNPC1
SCHEMBL6687971 0.67 GRIN2D (0.42) EPHX1ALDH1A1TSHRLMNATHRB
SCHEMBL22409653 0.67 ALDH1A1 (0.42) EPHX1ALDH1A1TSHRLMNATHRB
SCHEMBL16553899 0.67 ALDH1A1 (0.53) EPHX1ALDH1A1ALOX15TSHRLMNA
SCHEMBL27793441 0.67 ALDH1A1 (0.47) EPHX1ALDH1A1ALOX15TSHRLMNA
Hydrochloric Acid SCHEMBL7936029 0.66 ALDH1A1 (0.50) EPHX1ALDH1A1TSHRLMNATHRB
Amantadine SCHEMBL15015696 0.64 LMNA (0.70) EPHX1ALDH1A1ALOX15TSHRLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed