SCHEMBL20054789

SCHEMBL20054789

CCOC(C)c1ccc(C)s1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PRMT6 Q96LA8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
SCHEMBL20054216 0.78 GABBR2 (0.37) LMNAALDH1A1HPGDKMT2ATP53
SCHEMBL9966876 0.72 ALOX5 (0.42) ALOX5LMNAALDH1A1HPGDKMT2A
SCHEMBL12310756 0.72 ALOX5 (0.42) ALOX5LMNAALDH1A1HPGDKMT2A
SCHEMBL20837492 0.72 TP53 (0.36) KMT2ACYP2C9CYP2C19TP53SMN1; SMN2
SCHEMBL16746890 0.72 ALOX5 (0.46) ALOX5LMNAALDH1A1HPGDKMT2A
SCHEMBL18910176 0.71 ALOX5 (0.47) ALOX5LMNAALDH1A1HPGDKMT2A
SCHEMBL2610825 0.71
SCHEMBL14035043 0.70 ALOX5 (0.39) ALOX5LMNAALDH1A1HPGDKMT2A
SCHEMBL6407437 0.70
SCHEMBL12260256 0.69 ALOX5 (0.40) ALOX5LMNAALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 WO disclosed
WO-2020047360-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-05 WO disclosed
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed