SCHEMBL9736111

SCHEMBL9736111

C=CCN1CC(CCl)C(Cl)C1=O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL11533567 0.78
SCHEMBL11606814 0.77
SCHEMBL11606457 0.74 GBA1 (0.34)
SCHEMBL11604438 0.74
SCHEMBL11605586 0.69 CYP3A4 (0.32) CYP3A4ALDH1A1
SCHEMBL11606237 0.69
SCHEMBL9735186 0.69 GRM2 (0.43) ALDH1A1
SCHEMBL11606089 0.68 BRD4 (0.31)
SCHEMBL8892656 0.68
SCHEMBL11606209 0.64 CYP3A4 (0.31) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160659-A 1-ALLYL-3-CHLORO-4-CHLOROMETHYL-2-PYRROLIDONE AND 2-ETHOXY-2,3-DIHYDRO-3,3-DIMETHYL-5-BENZOFURANYL METHANESULFONATE STAUFFER CHEMICAL COMPANY (US) 1979-07-10 US claimed
US-5114466-A Plant growth regulators for weeds in a rice paddy MITSUI TOATSU CHEMICALS, INC. (JP) 1992-05-19 US disclosed
EP-0402893-A1 1-(3-substituted benzyl)-3-halogeno-4-(1-halogenoalkyl)-2-pyrrolidinone derivatives and herbicides containing them MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-12-19 EP disclosed
US-4160659-A 1-ALLYL-3-CHLORO-4-CHLOROMETHYL-2-PYRROLIDONE AND 2-ETHOXY-2,3-DIHYDRO-3,3-DIMETHYL-5-BENZOFURANYL METHANESULFONATE STAUFFER CHEMICAL COMPANY (US) 1979-07-10 US disclosed
US-4160659-A 1-ALLYL-3-CHLORO-4-CHLOROMETHYL-2-PYRROLIDONE AND 2-ETHOXY-2,3-DIHYDRO-3,3-DIMETHYL-5-BENZOFURANYL METHANESULFONATE STAUFFER CHEMICAL COMPANY (US) 1979-07-10 US disclosed
US-4138495-A N-Substituted pyrrolidones and their use as miticides STAUFFER CHEMICAL COMPANY (US) 1979-02-06 US disclosed
US-4132713-A FROM UNSATURATED AMIDES STAUFFER CHEMICAL COMPANY (US) 1979-01-02 US disclosed
US-4119636-A FROM N-ALKENYL HALOMETHYL AMIDES, FERROUS ION CATALYST STAUFFER CHEMICAL COMPANY (US) 1978-10-10 US disclosed
US-4069038-A Acyclic and alicyclic N-substituted halo-2-pyrrolidinones and their utility as herbicides STAUFFER CHEMICAL COMPANY (US) 1978-01-17 US disclosed