SCHEMBL11528879

SCHEMBL11528879

C=C(C)C(=O)OC(C)Cn1c(C)cc(C)cc1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 8/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
PDE4B Q07343 1/20 0.30

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
SCHEMBL149716 0.78 TSHR (0.40) TSHRALDH1A1
SCHEMBL11527206 0.75 ALDH1A1 (0.41) POLBTSHRALDH1A1KDM4EMAPT
SCHEMBL3320292 0.73 TSHR (0.36) TSHRALDH1A1KDM4E
SCHEMBL11738114 0.72 TSHR (0.33) TSHR
SCHEMBL11738612 0.69 TSHR (0.33) TSHR
SCHEMBL11772571 0.69 ALDH1A1 (0.49) TSHRALDH1A1LMNAKDM4EMAPT
SCHEMBL4059532 0.69 TSHR (0.47) TSHRALDH1A1MAPT
SCHEMBL23810922 0.69 TSHR (0.39) POLBTSHRALDH1A1
SCHEMBL328790 0.69 TSHR (0.33) TSHRPDE4B
SCHEMBL9856978 0.66 KMT2A (0.41) POLBALDH1A1KDM4EMAPT

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
US-4159202-A PHOTOCOPYING HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-26 US disclosed