SCHEMBL21168596

SCHEMBL21168596

O=C1C2CC=CCC2C(=O)N1CCCCCN1C(=O)C2CC=CCC2C1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
ESR1 P03372 1/20 0.61
POLB P06746 1/20 0.61
HPGD P15428 1/20 0.61
RECQL P46063 1/20 0.61
BLM P54132 1/20 0.61
RAB9A P51151 1/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
CA4 P22748 1/20 0.49
ATM Q13315 1/20 0.47
TP53 P04637 2/20 0.47
HTR7 P34969 1/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL7453826 0.91 KMT2A (0.53) ALDH1A1MEN1KMT2ATDP1ESR1
SCHEMBL9358176 0.91 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ATDP1ESR1
SCHEMBL9180821 0.91 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ATDP1ESR1
SCHEMBL17532418 0.89 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ATDP1ESR1
SCHEMBL9513818 0.88 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ATDP1ESR1
SCHEMBL11860195 0.88 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ATDP1ESR1
Ammonia Solution, Strong SCHEMBL9180826 0.87 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ATDP1ESR1
SCHEMBL9180495 0.86 PTGS1 (0.56) ALDH1A1MEN1KMT2ATDP1ESR1
SCHEMBL9180487 0.86 PTGS1 (0.56) ALDH1A1MEN1KMT2ATDP1ESR1
SCHEMBL13606476 0.86 SMN1; SMN2 (0.50) ALDH1A1MEN1KMT2ATDP1ESR1

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
US-20190218366-A1 FORMED BODY HAVING EXCELLENT GAS-BARRIER PROPERTY TOYO SEIKAN GROUP HOLDINGS, LTD. (JP) 2019-07-18 US disclosed