SCHEMBL16296388

SCHEMBL16296388

[Zr][C@H]1C=Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.41
HTR6 P50406 1/20 0.40
SIGMAR1 Q99720 6/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP2D6 P10635 2/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 2/20 0.33
BRD4 O60885 1/20 0.33
CCL2 P13500 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 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
SCHEMBL814489 1.00 HTR2A (0.41) HTR2AHTR6SIGMAR1KDM4ECYP2D6
SCHEMBL29758183 1.00 HTR2A (0.41) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL28723796 0.98 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL812666 0.98 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Bromide SCHEMBL6903238 0.98 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL5709238 0.98 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL7250686 0.98 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Methyl Alcohol SCHEMBL8383611 0.93 HTR2A (0.38) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Chloromethane SCHEMBL8149410 0.93 HTR2A (0.38) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Biphenyl SCHEMBL10455231 0.91 ALDH1A1 (0.38) HTR2AHTR6SIGMAR1KDM4ECYP2D6

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-3710502-A1 POLYMERIZATION PROCESSES ExxonMobil Chemical Patents Inc. (US) 2020-09-23 EP claimed
EP-3008260-A1 BUILDING INSULATION Kimberly-Clark Worldwide, Inc. (US) 2016-04-20 EP disclosed
WO-2014199279-A1 BUILDING INSULATION KIMBERLY-CLARK WORLDWIDE, INC. (US) 2014-12-18 WO disclosed