SCHEMBL8734965

SCHEMBL8734965

CC1(Nc2cccc(Cl)c2C(N)=O)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.41
MAPT P10636 1/20 0.39
HDAC4 P56524 4/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
CXCR1 P25024 1/20 0.36
CXCR2 P25025 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
SCHEMBL8734962 0.83 CCR6 (0.44) CCR6KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL8735266 0.79 SLC6A9 (0.44) ALDH1A1POLB
SCHEMBL8735202 0.77 HPGD (0.61) CCR6MAPTALDH1A1LMNAPOLB
SCHEMBL8730842 0.76 HPGD (0.60) CCR6ALDH1A1LMNAPOLB
SCHEMBL7748934 0.75 ALDH1A1 (0.46) MAPTKDM4EALDH1A1TSHRLMNA
SCHEMBL320037 0.70 ALDH1A1 (0.61) MAPTALDH1A1TSHRLMNAPOLB
SCHEMBL29008206 0.68 ALDH1A1 (0.58) MAPTALDH1A1TSHRLMNAPOLB
SCHEMBL22777068 0.68 CXCR2 (0.55) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL11540686 0.68 GPR35 (0.61) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL8733043 0.67 POLB (0.46) MAPTKDM4EALDH1A1TSHRLMNA

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
EP-0749416-B1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO CO (US) 1998-12-23 EP disclosed