SCHEMBL8989147

SCHEMBL8989147

CCCCOC(C)(OCC)OCCCC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ATM Q13315 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
SCHEMBL10762136 0.92 TSHR (0.44) ADRB2ADRB1ADRB3TSHRLMNA
SCHEMBL11622968 0.90 THRB (0.38) TSHRCA1CA2
SCHEMBL28357448 0.86 TSHR (0.43) ADRB2ADRB1ADRB3TSHRLMNA
SCHEMBL5705926 0.83
SCHEMBL3879551 0.81 ADRB2 (0.39) ADRB2ADRB1ADRB3TSHRLMNA
SCHEMBL11374678 0.81 THRB (0.44) TSHRLMNACA1CA2
SCHEMBL20145107 0.81 THRB (0.44) TSHRLMNACA1CA2
SCHEMBL7181425 0.81 MEN1 (0.48) TSHRLMNAALDH1A1
SCHEMBL10938058 0.80 CYP4F2 (0.31)
SCHEMBL18771217 0.80 DNM1 (0.42) ADRB2ADRB1ADRB3TSHRLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715533-A1 WASTE TREATMENT British Nuclear Fuels PLC (GB) 1996-06-12 EP disclosed
WO-1996000114-A1 WASTE TREATMENT BRITISH NUCLEAR FUELS PLC (GB) 1996-01-04 WO disclosed
US-3932225-A Process for separately recovering uranium, transuranium elements, and fission products of uranium from atomic reactor fuel HAHN-MEITNER-INSTITUT FUR KERNFORSCHUNG BERLIN GMBH (DT) 1976-01-13 US disclosed