SCHEMBL7944844

SCHEMBL7944844

CCN(CCO)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 4/20 0.51
MAPK1 P28482 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
HPGD P15428 2/20 0.51
ALOX15 P16050 1/20 0.40
RECQL P46063 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
APEX1 P27695 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8410579 0.93 ALDH1A1 (0.59) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL8409728 0.85 ALDH1A1 (0.49) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL8407764 0.84 SMN1; SMN2 (0.48) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL7941116 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL8397272 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL7942660 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL7933563 0.81 HSPA5 (0.55) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL11266181 0.78 KDM4E (0.47) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL9416923 0.78 CYP2C19 (0.47) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL7944772 0.77 ALDH1A1 (0.84) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed