SCHEMBL6683680

SCHEMBL6683680

C=C(C)C1CC=C(C(=O)N(C)C)CC1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.69
LMNA P02545 2/20 0.69
TRPA1 O75762 1/20 0.51
ALDH1A1 P00352 3/20 0.49
ALOX15 P16050 3/20 0.49
CYP1B1 Q16678 1/20 0.49
TRPV1 Q8NER1 1/20 0.43
MAPK1 P28482 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.36
CES2 O00748 1/20 0.34

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
SCHEMBL6684987 0.83 TSHR (0.63) TSHRLMNATRPA1ALDH1A1ALOX15
SCHEMBL13301247 0.83 TSHR (0.77) TSHRLMNATRPA1ALDH1A1ALOX15
SCHEMBL14626987 0.83 TSHR (0.77) TSHRLMNATRPA1ALDH1A1ALOX15
Perillic Acid SCHEMBL465998 0.81 TSHR (1.00) TSHRLMNATRPA1ALDH1A1ALOX15
Perillic Acid (-) SCHEMBL19341659 0.81 TSHR (1.00) TSHRLMNATRPA1ALDH1A1ALOX15
Perillic Acid SCHEMBL8434974 0.81 TSHR (1.00) TSHRLMNATRPA1ALDH1A1ALOX15
Perillic Acid SCHEMBL19341660 0.81 TSHR (1.00) TSHRLMNATRPA1ALDH1A1ALOX15
SCHEMBL6684148 0.81 TSHR (0.60) TSHRLMNATRPA1ALDH1A1ALOX15
SCHEMBL8591050 0.79 TSHR (0.71) TSHRLMNATRPA1ALDH1A1ALOX15
SCHEMBL8591960 0.79 TSHR (0.71) TSHRLMNATRPA1ALDH1A1ALOX15

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
WO-2004076400-A1 ANTIMICROBIAL AGENT AGAINST BACTERIA, YEAST AND MOULDS DR. RIEKS GMBH (DE) 2004-09-10 WO claimed
WO-2004076400-A1 ANTIMICROBIAL AGENT AGAINST BACTERIA, YEAST AND MOULDS DR. RIEKS GMBH (DE) 2004-09-10 WO disclosed