SCHEMBL9765187

SCHEMBL9765187

O=C(CSC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl)OC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 5/20 0.35
TSHR P16473 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CASP3 P42574 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL9765223 0.85 MEN1 (0.40) SLC6A3ALDH1A1MEN1KMT2ANPSR1
SCHEMBL10596296 0.84 SLC6A3 (0.42) SLC6A3ALDH1A1TSHRPOLBNPSR1
SCHEMBL9765171 0.83 PPOX (0.38)
SCHEMBL9765210 0.83 KMT2A (0.38) ALDH1A1MEN1KMT2ACASP3POLB
SCHEMBL10416238 0.83 SLC6A3 (0.40) SLC6A3ALDH1A1TSHRPOLBNPSR1
SCHEMBL9765169 0.82 SLC6A2 (0.37) SLC6A3ALDH1A1MEN1KMT2ANPSR1
SCHEMBL9765167 0.80 MEN1 (0.35) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL9765180 0.80 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10416239 0.79 SLC6A3 (0.40) SLC6A3ALDH1A1CASP3
SCHEMBL9765212 0.77 MEN1 (0.39) SLC6A3ALDH1A1MEN1KMT2ANPSR1

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