SCHEMBL8645321

SCHEMBL8645321

Cc1cc(C)cc(Oc2ccccc2C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.54
DHODH Q02127 1/20 0.52
KDM4E B2RXH2 8/20 0.51
HPGD P15428 6/20 0.51
HSD17B10 Q99714 5/20 0.51
ALDH1A1 P00352 5/20 0.51
TSHR P16473 2/20 0.51
ESR1 P03372 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
HMGB1 P09429 1/20 0.51
GGT1 P19440 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
BLM P54132 1/20 0.51
NAPRT Q6XQN6 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 2/20 0.50

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
SCHEMBL2867681 0.87 GFER (0.59) HTTDHODHKDM4EHPGDHSD17B10
SCHEMBL30775034 0.84 HTT (0.59) HTTDHODHKDM4EHPGDHSD17B10
SCHEMBL366 0.84 HTT (0.59) HTTDHODHKDM4EHPGDHSD17B10
SCHEMBL13851461 0.83 HTT (0.67) SMN1; SMN2HTTKDM4EHPGDHSD17B10
SCHEMBL3945163 0.83 CTNNB1 (0.54) SMN1; SMN2HTTDHODHKDM4EHPGD
Bromide SCHEMBL2782643 0.83 HTT (0.57) HTTDHODHKDM4EHPGDHSD17B10
SCHEMBL28940652 0.82 HTT (0.53) HTTDHODHKDM4EHPGDHSD17B10
SCHEMBL2673158 0.81 HTT (0.56) HTTDHODHKDM4EHPGDHSD17B10
SCHEMBL1798 0.81 CTNNB1 (0.71) SMN1; SMN2HTTNPSR1KDM4EHPGD
SCHEMBL28411450 0.81 CTNNB1 (0.66) SMN1; SMN2HTTKDM4EHPGDHSD17B10

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
US-5770614-A EXCELLENT ACTIVITY OF CONTROLLING PSEUDOCERCOSPORELLA HERPOTRICHOIDES SHIONOGI & CO., LTD. (JP) 1998-06-23 US disclosed
EP-0760363-A1 2-(SUBSTITUTED PHENYL)-2-ALKOXYIMINO-N-ALKYLACETAMIDE COMPOUND AND BACTERICIDE CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 1997-03-05 EP disclosed