SCHEMBL29456902

SCHEMBL29456902

CC[N+](C)(CC)CC.O=C([O-])c1ccccc1OBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
CHRM2 P08172 2/20 0.37
NR1I2 O75469 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
CHRM1 P11229 2/20 0.36
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36
LTB4R Q15722 2/20 0.36
LTB4R2 Q9NPC1 2/20 0.36

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
SCHEMBL28700760 0.84 LMNA (0.37) KMT2AMEN1LMNACHRM2NR1I2
Phthalic Acid SCHEMBL2453390 0.83 ALDH1A1 (0.47) KMT2AMEN1CHRM2ALDH1A1KDM4E
Phthalic Acid SCHEMBL2453262 0.81 ALDH1A1 (0.45) KMT2AMEN1CHRM2ALDH1A1KDM4E
SCHEMBL28713260 0.78 KMT2A (0.34) KMT2AMEN1LMNACHRM2ALDH1A1
Phthalic Acid SCHEMBL2453263 0.77 ALDH1A1 (0.50) KMT2AALDH1A1KDM4EHPGDCHRM1
Phthalic Acid SCHEMBL9228406 0.77 ALDH1A1 (0.50) KMT2AALDH1A1KDM4EHPGDCHRM1
SCHEMBL28715708 0.74 KDM4E (0.39) KMT2AMEN1LMNACHRM2NR1I2
Phthalic Acid SCHEMBL9227519 0.74 ALDH1A1 (0.48) KMT2AMEN1LMNACYP3A4MAPT
SCHEMBL31616203 0.74 MEN1 (0.30) KMT2AMEN1
Zinc Ion SCHEMBL2003364 0.71 HCRTR1 (0.60) KMT2AMEN1LMNACHRM2NR1I2

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-108475822-B Nonaqueous electrolyte solution for secondary battery and secondary battery provided with same 斯泰拉化工公司 2022-03-11 CN disclosed