SCHEMBL28575170

SCHEMBL28575170

CC(C)=CCCC(C)=CC=CC=C(C)CCC=C(C)C

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.76
LMNA P02545 1/20 0.76
PGR P06401 1/20 0.76
ALDH1A1 P00352 2/20 0.67
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.58
CYP3A4 P08684 2/20 0.58
ALOX15 P16050 2/20 0.58
MAPT P10636 2/20 0.56
UGT1A1 P22309 1/20 0.56
SQLE Q14534 4/20 0.54
KDM4E B2RXH2 2/20 0.52
ATM Q13315 1/20 0.52
POLB P06746 1/20 0.50
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49

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
SCHEMBL2896117 0.95 KMT2A (0.73) NR1I2LMNAPGRALDH1A1KMT2A
SCHEMBL2841894 0.95 KMT2A (0.73) NR1I2LMNAPGRALDH1A1KMT2A
SCHEMBL109310 0.95 KMT2A (0.73) NR1I2LMNAPGRALDH1A1KMT2A
SCHEMBL29059665 0.95 KMT2A (0.73) NR1I2LMNAPGRALDH1A1KMT2A
SCHEMBL1305273 0.91 KMT2A (0.74) NR1I2LMNAPGRALDH1A1KMT2A
SCHEMBL1305275 0.91 KMT2A (0.74) NR1I2LMNAPGRALDH1A1KMT2A
SCHEMBL8699980 0.89 ALDH1A1 (0.73) NR1I2LMNAPGRALDH1A1KMT2A
SCHEMBL16198625 0.89 ALDH1A1 (0.73) NR1I2LMNAPGRALDH1A1KMT2A
SCHEMBL6559820 0.88 NR1I2 (0.62) NR1I2LMNAPGRALDH1A1KMT2A
Lycopene SCHEMBL20158 0.87 NR1I2 (1.00) NR1I2LMNAPGRALDH1A1KMT2A

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
CN-112782114-B Method for identifying aging years of dried orange peel 广州白云山陈李济药厂有限公司 2022-04-29 CN claimed
CN-112782114-A Method for identifying aging years of dried orange peel 广州白云山陈李济药厂有限公司 2021-05-11 CN claimed
CN-112782114-B Method for identifying aging years of dried orange peel 广州白云山陈李济药厂有限公司 2022-04-29 CN disclosed
CN-112782114-A Method for identifying aging years of dried orange peel 广州白云山陈李济药厂有限公司 2021-05-11 CN disclosed