SCHEMBL6689802

SCHEMBL6689802

O=[N+]([O-])c1ccc(-c2ccccc2)cc1CCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CHEK1 O14757 2/20 0.43
TSHR P16473 1/20 0.42
ABCC1 P33527 3/20 0.40
ABCB1 P08183 3/20 0.40
KCNMA1 Q12791 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HPRT1 P00492 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
APP P05067 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C18 P33260 2/20 0.39

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
SCHEMBL6259352 0.81 ALDH1A1 (0.63) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL2950974 0.80 CRHBP (0.50) CRHBPCRHR2CYP11B1CYP11B2ALDH1A1
SCHEMBL28192852 0.78 BACE1 (0.45) ALDH1A1CHEK1TSHR
SCHEMBL25410988 0.77 CRHBP (0.47) CRHBPCRHR2ALDH1A1TDP1ABCC1
SCHEMBL7564163 0.76 ALDH1A1 (0.61) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL6691391 0.75 APP (0.48) CRHBPCRHR2ALDH1A1TDP1ABCC1
SCHEMBL23529914 0.75 CRHBP (0.57) CRHBPCRHR2ALDH1A1TDP1TSHR
SCHEMBL8576604 0.74 ALDH1A1 (0.59) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL17742439 0.74 TDP1 (0.66) CRHBPCRHR2CYP11B1CYP11B2ALDH1A1
SCHEMBL1663325 0.73 CRHBP (0.63) CRHBPCRHR2CYP11B1CYP11B2ALDH1A1

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
WO-2004074300-A2 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NIGU CHEMIE GMBH (DE) 2004-09-02 WO disclosed