SCHEMBL25909666

SCHEMBL25909666

C=C(C)CN(CC=C(C)C)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CNR2 P34972 1/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
G6PC1 P35575 1/20 0.36

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
SCHEMBL12411286 0.86 ALDH1A1 (0.45) KDM4EALDH1A1TSHRCNR2ATM
SCHEMBL10246603 0.84 ALDH1A1 (0.46) KDM4EALDH1A1TSHRCNR2LMNA
SCHEMBL9210778 0.84 LMNA (0.40) ALDH1A1TSHRCNR2LMNATDP1
SCHEMBL12842010 0.81 ALDH1A1 (0.43) KDM4EALDH1A1TSHRCNR2LMNA
SCHEMBL2073073 0.77 HTT (0.50) KDM4EALDH1A1TSHRCNR2LMNA
SCHEMBL2073758 0.74 RORC (0.39) ALDH1A1TSHRCNR2LMNAL3MBTL1
Hydrochloric Acid SCHEMBL7572937 0.73 ALDH1A1 (0.39) ALDH1A1TSHRATMTDP1L3MBTL1
SCHEMBL8983573 0.73 G6PC1 (0.47) ALDH1A1TSHRCNR2G6PC1
SCHEMBL8983564 0.73 G6PC1 (0.47) ALDH1A1TSHRCNR2G6PC1
SCHEMBL8983569 0.73 G6PC1 (0.47) ALDH1A1TSHRCNR2G6PC1

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
US-20230241597-A1 PLATFORM FOR THE RECOVERY OF TRANSITION METAL CATALYSTS TEXAS TECH UNIVERSITY SYSTEM 2023-08-03 US disclosed
US-20230241597-A1 PLATFORM FOR THE RECOVERY OF TRANSITION METAL CATALYSTS TEXAS TECH UNIVERSITY SYSTEM 2023-08-03 US disclosed