SCHEMBL9765169

SCHEMBL9765169

CC(C)OC(=O)CSC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PPOX P50336 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL9765177 0.90 SLC6A2 (0.36) SLC6A2SLC6A3ALDH1A1SMN1; SMN2MEN1
SCHEMBL9765223 0.89 MEN1 (0.40) SLC6A2SLC6A3ALDH1A1MEN1KMT2A
SCHEMBL9765210 0.87 KMT2A (0.38) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL9765167 0.84 MEN1 (0.35) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL9765180 0.83 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9765187 0.82 SLC6A3 (0.41) SLC6A3ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9765157 0.82 PPOX (0.40) PPOX
SCHEMBL9765212 0.80 MEN1 (0.39) SLC6A2SLC6A3ALDH1A1MEN1KMT2A
SCHEMBL9765536 0.79 KMT2A (0.37) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL9765218 0.78 KMT2A (0.38) ALDH1A1MEN1KMT2ALMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233151-B1 ESTERS AS HERBICIDES CIBA-GEIGY AG (CH) 1991-11-13 EP claimed
US-5034048-A Plant growth regulators, 5(tetrahydrophthalamido)benzoic acid derivatives for controlling weeds CIBA-GEIGY CORPORATION (US) 1991-07-23 US disclosed
US-4917721-A TETRAHYDROPHTHALIMIDO BENZOIC ACID THIOESTERS CIBA-GEIGY CORPORATION (US) 1990-04-17 US disclosed