SCHEMBL16212920

SCHEMBL16212920

C#CCOCCOCCOCCOCCOCCOCCOCCOCC

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.31

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
SCHEMBL18227199 1.00 TSHR (0.40) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL8200996 1.00 TSHR (0.40) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL1661717 1.00 TSHR (0.40) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL21118087 1.00 TSHR (0.40) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL5326180 0.97
SCHEMBL31324014 0.86 TSHR (0.48) TSHRALDH1A1MEN1KMT2A
SCHEMBL30456060 0.86 TSHR (0.48) TSHRALDH1A1MEN1KMT2A
SCHEMBL22589673 0.86 TSHR (0.48) TSHRALDH1A1MEN1KMT2A
SCHEMBL12360400 0.86 TSHR (0.48) TSHRALDH1A1MEN1KMT2A
SCHEMBL30433623 0.86 TSHR (0.48) TSHRALDH1A1MEN1KMT2A

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
EP-2991677-A1 SYNTHETIC ANTIBODY MIMETIC COMPOUNDS (SYAMS) TARGETING CANCER, ESPECIALLY PROSTATE CANCER Yale University (US) 2016-03-09 EP disclosed
WO-2014178878-A1 SYNTHETIC ANTIBODY MIMETIC COMPOUNDS (SYAMS) TARGETING CANCER, ESPECIALLY PROSTATE CANCER YALE UNIVERSITY (US) 2014-11-06 WO disclosed