SCHEMBL8735202

SCHEMBL8735202

C=CCNC(=O)c1c(Cl)cccc1NC1(C)CCCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.61
ALDH1A1 P00352 4/20 0.61
CYP1A2 P05177 2/20 0.47
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.39
CCR6 P51684 1/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
PKM P14618 1/20 0.38
P2RX7 Q99572 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8730842 0.99 HPGD (0.60) HPGDALDH1A1CYP1A2RAB9APOLB
SCHEMBL8732644 0.86 HPGD (0.48) HPGDALDH1A1CYP1A2RAB9APOLB
SCHEMBL8735266 0.83 SLC6A9 (0.44) HPGDALDH1A1POLBL3MBTL1P2RX7
SCHEMBL8730884 0.78 HPGD (0.60) HPGDALDH1A1CYP1A2RAB9APOLB
SCHEMBL8734965 0.77 CCR6 (0.41) ALDH1A1POLBLMNACCR6MAPT
SCHEMBL8735201 0.77 HPGD (0.59) HPGDALDH1A1CYP1A2RAB9APOLB
SCHEMBL8730855 0.77 HPGD (0.69) HPGDALDH1A1CYP1A2RAB9APOLB
SCHEMBL8730834 0.75 HPGD (0.66) HPGDALDH1A1CYP1A2RAB9APOLB
SCHEMBL8733069 0.74 HPGD (0.64) HPGDALDH1A1CYP1A2RAB9APOLB
SCHEMBL7853654 0.71 HPGD (0.73) HPGDALDH1A1CYP1A2RAB9APOLB

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