SCHEMBL10695420

SCHEMBL10695420

COC(=O)CCCCCN=C=O.COC(=O)CCCN=C=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
RECQL P46063 1/20 0.37
EPHX2 P34913 4/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.35
POLA1 P09884 1/20 0.35
MEN1 O00255 2/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL9714542 0.98 TSHR (0.52) TSHRLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL6775802 0.98 TSHR (0.52) TSHRLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL9781700 0.98 TSHR (0.52) TSHRLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL11437952 0.98 TSHR (0.52) TSHRLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL3795395 0.96 TSHR (0.54) TSHRLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL3403179 0.94 TSHR (0.56) TSHRLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL214537 0.82
SCHEMBL13123489 0.81 TSHR (0.50) TSHRLMNAALDH1A1
SCHEMBL2824773 0.81 TSHR (0.50) TSHRLMNAALDH1A1
SCHEMBL11177812 0.81 TSHR (0.50) TSHRLMNAALDH1A1

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-4757085-A Pharmaceuticals BAYER AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed