SCHEMBL8735186

SCHEMBL8735186

CCC(C)(CC)Oc1cccc(Cl)c1C(=O)NC(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
POLB P06746 3/20 0.43
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SLC6A9 P48067 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CNR1 P21554 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
SCHEMBL8733056 0.84 SLC6A9 (0.44) ALDH1A1HPGDPOLBSMN1; SMN2SLC6A9
SCHEMBL8730866 0.82 POLB (0.44) ALDH1A1POLBLMNASLC6A9L3MBTL1
SCHEMBL8732638 0.81 HPGD (0.63) ALDH1A1HPGDPOLBLMNASLC6A9
SCHEMBL11056940 0.79 ALDH1A1 (0.49) ALDH1A1HPGDPOLBITGB1ITGA4
Water SCHEMBL7924276 0.77 TAS1R3 (0.47) ALDH1A1HPGDPOLBITGB1ITGA4
SCHEMBL7217388 0.76 ALDH1A1 (0.44) ALDH1A1HPGDPOLBLMNASLC6A9
SCHEMBL8732670 0.74 SLC6A9 (0.42) ALDH1A1HPGDPOLBLMNASMN1; SMN2
SCHEMBL14726669 0.73 TYK2 (0.55) ALDH1A1HPGDPOLBITGB1ITGA4
SCHEMBL18885328 0.72 ITGB2 (0.58) ALDH1A1HPGDPOLBL3MBTL1MAPT
SCHEMBL8732672 0.72 SLC6A9 (0.43) ALDH1A1HPGDPOLBSMN1; SMN2SLC6A9

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