SCHEMBL8071758

SCHEMBL8071758

COCCOCn1c(Oc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.32
HTT P42858 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
NTRK1 P04629 1/20 0.31
NTRK3 Q16288 1/20 0.31
NTRK2 Q16620 1/20 0.31
HPGD P15428 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8067216 0.89 PNP (0.36) ALDH1A1HTT
SCHEMBL8069285 0.87 ALDH1A1 (0.34) MEN1KMT2ATDP1ALDH1A1PDE3B
SCHEMBL8067201 0.87 MEN1 (0.35) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL8071853 0.83 ALDH1A1 (0.54) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL8555615 0.82 KDM4E (0.33) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL12829055 0.82 MAOB (0.36) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL6087128 0.80 TPH1 (0.34) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL8069190 0.78 KMT2A (0.44) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL1484944 0.78 PDE3B (0.31) PDE3BPDE3A
SCHEMBL6087134 0.78 MEN1 (0.32) MEN1KMT2ATDP1HTTPDE3B

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-6136815-A VIRICIDES FOR TREATMENT OF AIDS KOREA RESEARCH INST. OF CHEM. TECH. (KR) 2000-10-24 US disclosed