SCHEMBL8159013

SCHEMBL8159013

CC(C1C=Cc2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
SIGMAR1 Q99720 4/20 0.33
GPR3 P46089 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HTR2A P28223 2/20 0.33
CYP2D6 P10635 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 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

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
Hydrochloric Acid SCHEMBL8540100 0.98 MEN1 (0.33) MEN1KMT2APOLBATMSIGMAR1
Hydrochloric Acid SCHEMBL6904140 0.85 SIGMAR1 (0.36) MEN1KMT2ASIGMAR1KDM4EHTR2A
SCHEMBL29603716 0.85 SIGMAR1 (0.38) MEN1KMT2ASIGMAR1KDM4EHTR2A
SCHEMBL668104 0.85 SIGMAR1 (0.38) MEN1KMT2ASIGMAR1KDM4EHTR2A
Lithium SCHEMBL8770699 0.83 SIGMAR1 (0.37) MEN1KMT2ASIGMAR1KDM4EHTR2A
SCHEMBL6904952 0.83 SIGMAR1 (0.37) MEN1KMT2ASIGMAR1KDM4EHTR2A
SCHEMBL9144863 0.83 SIGMAR1 (0.37) MEN1KMT2ASIGMAR1KDM4EHTR2A
SCHEMBL8770693 0.83 SIGMAR1 (0.37) MEN1KMT2ASIGMAR1KDM4EHTR2A
SCHEMBL9144870 0.83 SIGMAR1 (0.37) MEN1KMT2ASIGMAR1KDM4EHTR2A
Hydrochloric Acid SCHEMBL7640182 0.82 SIGMAR1 (0.36) MEN1KMT2ASIGMAR1KDM4EHTR2A

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-1023339-A2 ELASTIC POLYPROPYLENES AND CATALYSTS FOR THEIR MANUFACTURE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-08-02 EP disclosed
WO-1999020664-A2 ELASTIC POLYPROPYLENES AND CATALYSTS FOR THEIR MANUFACTURE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-04-29 WO disclosed