SCHEMBL6236334

SCHEMBL6236334

CC(C)(C)C1=CCC([C]2C=Cc3ccccc32)=C1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ABCB11 O95342 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
TSHR P16473 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD1 P21728 1/20 0.31
TBXA2R P21731 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL6236338 0.74
SCHEMBL3207985 0.69 MEN1 (0.36) ALDH1A1TSHRHTTMEN1LMNA
SCHEMBL7629219 0.68
SCHEMBL320251 0.68 CA1 (0.36) ALDH1A1HSD17B10ABCB11TP53CYP1A2
Hydrochloric Acid SCHEMBL27490623 0.68 PTGS2 (0.32) HTR2AHTR2CHTR2B
SCHEMBL7923398 0.67 ALDH1A1 (0.39) ALDH1A1HSD17B10ABCB11TP53CYP1A2
SCHEMBL5921807 0.66 LMNA (0.50) ALDH1A1HSD17B10ABCB11TP53CYP1A2
Hydrochloric Acid SCHEMBL6211542 0.65
SCHEMBL3212186 0.63 KDM4E (0.34) ALDH1A1LMNAKDM4E
SCHEMBL3201643 0.62 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0848022-B1 Production of Ethylene/Butene copolymers with a single metallocene catalyst and a single monomer TOTAL PETROCHEMICALS RES FELUY (BE) 2005-03-02 EP claimed