SCHEMBL8397272

SCHEMBL8397272

Cc1c(CN(C)CCO)cc(C(C)(C)C)c(O)c1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 7/20 0.39
CYP2C9 P11712 6/20 0.39
HIF1A Q16665 6/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2D6 P10635 3/20 0.39
HSPA5 P11021 2/20 0.37
CA2 P00918 2/20 0.36
POLB P06746 1/20 0.36
TYR P14679 1/20 0.36
TP53 P04637 2/20 0.35

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
SCHEMBL9416923 0.90 CYP2C19 (0.47) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL8410579 0.87 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL7941116 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL7944844 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL8409728 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL8407764 0.81 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL7942593 0.79 HIF1A (0.55) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL7943247 0.79 HSPA5 (0.58) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL28492613 0.79 HSPA5 (0.43) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL10708543 0.76 HSPA5 (0.56) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT

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-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed