SCHEMBL9494469

SCHEMBL9494469

COC(=O)CN[C@@H]1CCCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 2/20 0.58
HTT P42858 2/20 0.58
GAA P10253 1/20 0.58
TAS1R3 Q7RTX0 2/20 0.54
TAS1R1 Q7RTX1 2/20 0.54

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
SCHEMBL9493215 1.00 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL9492819 1.00 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4EHTT
Hydrochloric Acid SCHEMBL9653456 0.99 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL7141327 0.92 MAOA (0.56) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL11005532 0.88 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4EHTT
Hydrochloric Acid SCHEMBL11012783 0.87 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL5901234 0.84 HTT (0.61) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL5193757 0.83 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL11058260 0.83 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL9494061 0.82 MTNR1A (0.52) ALDH1A1MEN1KMT2A

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
US-5246915-A Herbicides JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-21 US disclosed
EP-0207563-B1 A METHOD FOR CONTROLLING WEEDS JANSSEN PHARMACEUTICA N.V. (BE) 1991-07-31 EP disclosed
EP-0207563-A2 A method for controlling weeds JANSSEN PHARMACEUTICA N.V. (BE) 1987-01-07 EP disclosed