SCHEMBL8787974

SCHEMBL8787974

C/C(=C\C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.64
▸ PARP1 P09874 1/20 0.61
▸ PARP15 Q460N3 1/20 0.61
▸ PARP10 Q53GL7 1/20 0.61
▸ MAPT P10636 6/20 0.60
▸ LMNA P02545 4/20 0.60
▸ GAA P10253 2/20 0.60
▸ HTT P42858 2/20 0.59
▸ PKM P14618 2/20 0.59
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ HSP90AA1 P07900 1/20 0.58
▸ TP53 P04637 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ XBP1 P17861 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ MPO P05164 1/20 0.51

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
SCHEMBL8787970 1.00 ALDH1A1 (0.64) ALDH1A1PARP1PARP15PARP10MAPT
SCHEMBL8787978 1.00 ALDH1A1 (0.64) ALDH1A1PARP1PARP15PARP10MAPT
SCHEMBL8788079 0.86 MAPT (0.64) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL8788070 0.86 MAPT (0.64) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL8788081 0.86 MAPT (0.64) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL1552733 0.85 PARP1 (0.75) ALDH1A1PARP1PARP15PARP10MAPT
SCHEMBL7589726 0.85 PARP1 (0.75) ALDH1A1PARP1PARP15PARP10MAPT
SCHEMBL11677558 0.83 MAPT (0.67) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL11677569 0.83 MAPT (0.67) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL8789034 0.81 MAPT (0.52) ALDH1A1MAPTLMNAGAAHTT

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
EP-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 — — EP disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 — — WO disclosed
Send feedback