SCHEMBL11020293

SCHEMBL11020293

CCCCNCCC(C)CCCC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ACE2 Q9BYF1 1/20 0.34
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
REN P00797 1/20 0.32
MAPT P10636 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
S1PR2 O95136 5/20 0.31
S1PR4 O95977 5/20 0.31
S1PR1 P21453 5/20 0.31
S1PR3 Q99500 5/20 0.31
S1PR5 Q9H228 1/20 0.31
PRSS1 P07477 1/20 0.30
CTSG P08311 1/20 0.30
CTRB1 P17538 1/20 0.30
CMA1 P23946 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
SCHEMBL17314985 0.82 ACE2 (0.42) TSHRALDH1A1ACE2MEN1CYP3A4
SCHEMBL11922983 0.81 TSHR (0.41) TSHRALDH1A1MEN1KMT2A
SCHEMBL23869885 0.80 TSHR (0.50) TSHRALDH1A1ACE2S1PR2S1PR4
SCHEMBL19749942 0.80 TSHR (0.52) TSHRALDH1A1MEN1KMT2ACA1
SCHEMBL4317793 0.80 TSHR (0.46) TSHRALDH1A1ACE2MEN1CYP3A4
SCHEMBL4612569 0.79 ALDH1A1 (0.42) TSHRALDH1A1ACE2MEN1ALOX15
SCHEMBL1426138 0.78 TSHR (0.46) TSHRACE2MEN1CYP3A4ALOX15
SCHEMBL17831473 0.78 TSHR (0.50) TSHRALDH1A1MEN1KMT2ACA1
SCHEMBL20134288 0.77 ALDH1A1 (0.33) ALDH1A1MEN1CYP3A4ALOX15KMT2A
SCHEMBL1552856 0.77 TSHR (0.41) TSHRALDH1A1MEN1ALOX15KMT2A

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
EP-0159582-A1 Process for preparing polyphenylene ethers BASF Aktiengesellschaft (DE) 1985-10-30 EP disclosed