SCHEMBL6685601

SCHEMBL6685601

C=C(C)C1CC=C(C(=O)NCCC)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
LMNA P02545 2/20 0.60
TRPV1 Q8NER1 1/20 0.55
ALOX15 P16050 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP1B1 Q16678 1/20 0.47
TRPA1 O75762 1/20 0.46
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 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
SCHEMBL6689318 0.89 TSHR (0.60) TSHRLMNATRPV1ALOX15ALDH1A1
SCHEMBL6687180 0.89 TSHR (0.63) TSHRLMNATRPV1ALOX15ALDH1A1
SCHEMBL8591960 0.82 TSHR (0.71) TSHRLMNATRPV1ALOX15ALDH1A1
SCHEMBL6685988 0.81 TRPV1 (0.58) TSHRLMNATRPV1ALOX15ALDH1A1
SCHEMBL6684800 0.81 TSHR (0.69) TSHRLMNATRPV1ALOX15ALDH1A1
SCHEMBL28867133 0.77 TSHR (0.63) TSHRLMNATRPV1ALOX15ALDH1A1
SCHEMBL14626987 0.77 TSHR (0.77) TSHRLMNATRPV1ALOX15ALDH1A1
SCHEMBL13301247 0.77 TSHR (0.77) TSHRLMNATRPV1ALOX15ALDH1A1
Perillic Acid SCHEMBL8434974 0.76 TSHR (1.00) TSHRLMNATRPV1ALOX15ALDH1A1
Perillic Acid SCHEMBL19341660 0.76 TSHR (1.00) TSHRLMNATRPV1ALOX15ALDH1A1

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 1 patent. 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 disclosed