SCHEMBL27784696

SCHEMBL27784696

CC1(C)CCCC(C)(C)N1OCCc1ccccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.44
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
ALDH1A1 P00352 2/20 0.36
BRD4 O60885 2/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
SLC16A3 O15427 2/20 0.36
FABP4 P15090 1/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
CCR5 P51681 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTR2A P28223 1/20 0.35
HTR4 Q13639 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
SCHEMBL8439145 0.89 DRD2 (0.40) SCN1ASCN2ASCN3AALDH1A1HTT
SCHEMBL2512584 0.86 TP53 (0.43) FOLH1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL27806549 0.82 TP53 (0.37) FOLH1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL7527387 0.81 HRH3 (0.43)
SCHEMBL4621770 0.77 DHFR (0.43) ALDH1A1
SCHEMBL7257348 0.76 SCN1A (0.52) FOLH1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL5328214 0.75 FOLH1 (0.36) FOLH1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL2517872 0.74 ALDH1A1 (0.46) ALDH1A1HIF1ATSHRHTTMEN1
SCHEMBL23038404 0.73 SLC6A3 (0.34)
SCHEMBL12200810 0.73 GAA (0.41) ALDH1A1BRD4TSHRMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101775006-B Free radical initiator and method for peptide sequencing using thereof UNIV SOGANG IND UNIV COOP FOUN 2014-02-19 CN disclosed
CN-101775006-A Free radical initiator and method for peptide sequencing using thereof UNIV SOGANG IND UNIV COOP FOUN 2010-07-14 CN disclosed