SCHEMBL8728702

SCHEMBL8728702

CC(C)[Zr](C(C)C)(C1C=Cc2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
GPR3 P46089 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 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
SCHEMBL7598103 0.79 KDM4E (0.36) MEN1KMT2ASIGMAR1GPR3KDM4E
SCHEMBL7066150 0.78 GPR3 (0.31) GPR3KDM4ELMNATP53CHRM2
SCHEMBL795334 0.76 HTR6 (0.32) CYP2D6HTR2A
SCHEMBL8626352 0.75 CYP2D6 (0.35) POLBGPR3KDM4ELMNATP53
Hydrochloric Acid SCHEMBL7642128 0.72 SIGMAR1 (0.33) MEN1KMT2ASIGMAR1KDM4EHTR2A
SCHEMBL797549 0.71 BCHE (0.38) MEN1KMT2AKDM4ELMNATP53
SCHEMBL3685967 0.70 HTR2A (0.38) MEN1KMT2ASIGMAR1KDM4ELMNA
SCHEMBL6857385 0.70 RET (0.38) MEN1KMT2ASIGMAR1KDM4ELMNA
SCHEMBL3385276 0.70 HTR2A (0.38) MEN1KMT2ASIGMAR1KDM4ELMNA
SCHEMBL29480066 0.70 RET (0.38) MEN1KMT2ASIGMAR1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0615981-B1 Supported catalyst system, its preparation and its use in olefin polymerisation TARGOR GMBH (DE) 1998-05-06 EP claimed
EP-0610852-B1 Process for preparing cyclo-olefin polymers HOECHST AG (DE) 1997-05-07 EP claimed