SCHEMBL11569482

SCHEMBL11569482

CCOC(=O)C1C2C=CC(C2)C1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 3/20 0.38
POLB P06746 2/20 0.38
CTDSP1 Q9GZU7 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 5/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL6677993 0.79 LMNA (0.37) LMNATDP1POLBCTDSP1KDM4E
SCHEMBL8996568 0.75 TDP1 (0.41) LMNATDP1POLBCTDSP1KDM4E
SCHEMBL3192520 0.75 TDP1 (0.38) LMNATDP1POLBCTDSP1KDM4E
SCHEMBL9298779 0.75 ALDH1A1 (0.38) LMNATDP1POLBCTDSP1KDM4E
SCHEMBL4157002 0.72 LMNA (0.60) LMNAKDM4EALDH1A1TP53TSHR
SCHEMBL4157000 0.72 LMNA (0.60) LMNAKDM4EALDH1A1TP53TSHR
SCHEMBL1451358 0.70 POLB (0.57) LMNATDP1POLBKDM4EALDH1A1
SCHEMBL10050523 0.70 POLB (0.57) LMNATDP1POLBKDM4EALDH1A1
SCHEMBL19318635 0.70 POLB (0.57) LMNATDP1POLBKDM4EALDH1A1
SCHEMBL9605855 0.70 POLB (0.57) LMNATDP1POLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4176220-A COORDINATION CATALYST JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1979-11-27 US claimed
US-4176220-A COORDINATION CATALYST JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1979-11-27 US disclosed
US-4068063-A Catalyst composition for ring-opening polymerization of norbornene derivatives and process for polymerizing same JAPAN SYNTHETIC RUBBER CO., LTD. (JA) 1978-01-10 US disclosed