SCHEMBL29059665

SCHEMBL29059665

CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C\C=C(/C)CC/C=C(\C)CCC=C(C)C

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
NR1I2 O75469 1/20 0.70
LMNA P02545 1/20 0.70
PGR P06401 1/20 0.70
MAPT P10636 2/20 0.64
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 2/20 0.64
CYP3A4 P08684 2/20 0.64
ALOX15 P16050 2/20 0.64
UGT1A1 P22309 1/20 0.64
SQLE Q14534 6/20 0.61
KDM4E B2RXH2 1/20 0.57
FNTA P49354 1/20 0.54
FNTB P49356 1/20 0.54

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
SCHEMBL2841894 1.00 KMT2A (0.73) KMT2ANR1I2LMNAPGRMAPT
SCHEMBL109310 1.00 KMT2A (0.73) KMT2ANR1I2LMNAPGRMAPT
SCHEMBL2896117 1.00 KMT2A (0.73) KMT2ANR1I2LMNAPGRMAPT
SCHEMBL1305273 0.96 KMT2A (0.74) KMT2ANR1I2LMNAPGRMAPT
SCHEMBL1305275 0.96 KMT2A (0.74) KMT2ANR1I2LMNAPGRMAPT
SCHEMBL28575170 0.95 NR1I2 (0.76) KMT2ANR1I2LMNAPGRMAPT
SCHEMBL29799207 0.90 NR1I2 (0.59) KMT2ANR1I2LMNAPGRMAPT
SCHEMBL14639980 0.90 NR1I2 (0.59) KMT2ANR1I2LMNAPGRMAPT
SCHEMBL2832254 0.88 NR1I2 (0.93) KMT2ANR1I2LMNAPGRMAPT
SCHEMBL2834897 0.88 NR1I2 (0.93) KMT2ANR1I2LMNAPGRMAPT

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
CN-116660543-A Diagnostic and prognostic markers for nonalcoholic fatty liver disease and uses thereof 中国人民解放军陆军军医大学第一附属医院 2023-08-29 CN claimed