SCHEMBL9618828

SCHEMBL9618828

CCCCCCCCOc1ccc(-c2ccc(OC(=O)[C@H]3CC[C@H](CCCCCC)CC3)cc2)nc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 4/20 0.42
RARB P10826 3/20 0.40
NFKB1 P19838 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
CYP4F2 P78329 4/20 0.39
CYP4A11 Q02928 4/20 0.39
DGAT1 O75907 1/20 0.39
S1PR5 Q9H228 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL9618826 1.00 KDM4E (0.47) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9618458 0.96 KDM4E (0.49) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9618457 0.96 KDM4E (0.49) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9551629 0.89 MAPT (0.46) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9551632 0.89 MAPT (0.46) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL10462721 0.89 SMN1; SMN2 (0.51) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL10463055 0.89 SMN1; SMN2 (0.51) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL10463054 0.89 SMN1; SMN2 (0.51) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL10462722 0.89 SMN1; SMN2 (0.51) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL10462185 0.89 SMN1; SMN2 (0.51) KDM4EALDH1A1HPGDL3MBTL1HTT

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
JP-4356464-A None JP disclosed
JP-H04356464-A NEW CYCLOHEXANECARBOXYLIC ACID ESTER COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME COMPOUND NIKKO KYODO CO LTD 1992-12-10 JP disclosed