SCHEMBL27745401

SCHEMBL27745401

CC1CN(C)C(C)N1C.Cc1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KMT2A Q03164 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
POLB P06746 1/20 0.38
SLC6A9 P48067 3/20 0.38
MYC P01106 1/20 0.38
SLC6A5 Q9Y345 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.35
ATM Q13315 1/20 0.35
CCR5 P51681 2/20 0.35
AKR1B10 O60218 1/20 0.35
TRPA1 O75762 1/20 0.35
ABCB11 O95342 1/20 0.35
DHFR P00374 1/20 0.35

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
SCHEMBL4362753 1.00 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL4357999 0.85 MMP2 (0.40) KDM4EALDH1A1HSD17B10KMT2APOLB
SCHEMBL27724809 0.85 MMP2 (0.40) KDM4EALDH1A1HSD17B10KMT2APOLB
Phthalic Acid SCHEMBL29661852 0.84 ALDH1A1 (0.47) KDM4EALDH1A1MYCL3MBTL1CHRM1
Phthalic Acid SCHEMBL29350307 0.84 ALDH1A1 (0.47) KDM4EALDH1A1MYCL3MBTL1CHRM1
Phthalic Acid SCHEMBL3845259 0.84 ALDH1A1 (0.47) KDM4EALDH1A1MYCL3MBTL1CHRM1
Phthalic Acid SCHEMBL930633 0.84 ALDH1A1 (0.47) KDM4EALDH1A1MYCL3MBTL1CHRM1
SCHEMBL3494797 0.81 TSHR (0.47) KDM4EALDH1A1KMT2ACYP3A4POLB
SCHEMBL28764167 0.81 TSHR (0.47) KDM4EALDH1A1KMT2ACYP3A4POLB
Salicylic Acid SCHEMBL3497364 0.79 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10KMT2A

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-101292308-A Electrolysis solution and electrolytic capacitor using the same SANYO CHEMICAL IND LTD (JP) 2008-10-22 CN disclosed