SCHEMBL11453385

SCHEMBL11453385

CONC(=O)COc1cc(Cl)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ PTGDR2 Q9Y5Y4 1/20 0.52
▸ LMNA P02545 4/20 0.51
▸ HTT P42858 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HPGD P15428 1/20 0.49
▸ ANO1 Q5XXA6 2/20 0.48
▸ ANO2 Q9NQ90 1/20 0.48
▸ BCHE P06276 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL10344531 0.88 MEN1 (0.65) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL27374817 0.84 SMN1; SMN2 (0.68) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL1107026 0.83 LMNA (0.57) SMN1; SMN2PTGDR2LMNAHTTMEN1
SCHEMBL29994190 0.80 PTGDR2 (0.58) SMN1; SMN2PTGDR2LMNAHTTMEN1
SCHEMBL339942 0.80 PTGDR2 (0.74) PTGDR2NPSR1
Dimethylamine SCHEMBL20503859 0.79 TDP1 (0.70) PTGDR2NPSR1
Hydrochloric Acid SCHEMBL3533163 0.78 PTGDR2 (0.72) PTGDR2NPSR1
SCHEMBL30898299 0.77 PTGDR2 (0.59) SMN1; SMN2PTGDR2LMNAHTTMEN1
SCHEMBL6907493 0.77 CYP1A2 (0.62) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL21004114 0.76 L3MBTL1 (0.63) LMNAMEN1KMT2AALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4190431-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1980-02-26 — — US disclosed
US-4029687-A HERBICIDES CIBA-GEIGY AG (CH) 1977-06-14 — — US disclosed
US-4004914-A HERBICIDES CIBA-GEIGY AG (CH) 1977-01-25 — — US disclosed
US-3982922-A Herbicidal compositions containing furancarboxamides VELSICOL CHEMICAL CORPORATION (US) 1976-09-28 — — US disclosed
US-3982019-A Insecticidal compositions containing trifluoromethyl ureas and method of controlling insects using said compositions VELSICOL CHEMICAL CORPORATION (US) 1976-09-21 — — US disclosed
US-3948967-A HERBICIDE, FUNGICIDE VELSICOL CHEMICAL CORPORATION (US) 1976-04-06 — — US disclosed
US-3944410-A Substituted oxadiazolidine dione herbicides VELSICOL CHEMICAL CORPORATION (US) 1976-03-16 — — US disclosed
Send feedback