SCHEMBL3865733

SCHEMBL3865733

CC1=C(c2ccc(C)cc2C=O)CC=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.37
ERN1 O75460 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KCNJ1 P48048 1/20 0.33
ELANE P08246 1/20 0.33
METAP1 P53582 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 1/20 0.31
SRD5A1 P18405 1/20 0.31
CYP2A6 P11509 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
SCHEMBL3199198 0.84 ERN1 (0.41) ERN1ALDH1A1KCNJ1METAP1KDM4E
SCHEMBL3213180 0.82 ERN1 (0.46) ERN1ALDH1A1METAP1KDM4ECA1
SCHEMBL3200253 0.82 NPC1 (0.37) ALDH1A1KCNJ1
SCHEMBL3214983 0.80 ALDH1A1 (0.42) MAOAMAOBALDH1A1KCNJ1KDM4E
SCHEMBL3213432 0.78 ALDH1A1 (0.35) ERN1ALDH1A1KCNJ1KDM4EGAA
SCHEMBL7935346 0.70 SRC (0.44) SRCERN1MAOAMAOBALDH1A1
SCHEMBL15169288 0.67 ERN1 (0.50) SRCERN1MAOAMAOBALDH1A1
SCHEMBL12203737 0.67 SRC (0.42) SRCERN1MAOAMAOBALDH1A1
SCHEMBL4851358 0.67 PSMB5 (0.46) SRCERN1MAOAMAOBALDH1A1
SCHEMBL3203805 0.67 ERN1 (0.44) ERN1ALDH1A1KDM4EGAALMNA

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-1426379-B1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2009-11-11 EP disclosed