SCHEMBL11748909

SCHEMBL11748909

CCCCCCOC(C[O-])(OCCCCCC)OCCCCCC.CCCCCCOC(C[O-])(OCCCCCC)OCCCCCC.CCCCCCOC(C[O-])(OCCCCCC)OCCCCCC.[Al+3]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.38
TSHR P16473 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
EPHX2 P34913 1/20 0.38
BLM P54132 1/20 0.38
THRB P10828 2/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
CA1 P00915 7/20 0.34
CA2 P00918 7/20 0.34
LPAR3 Q9UBY5 6/20 0.34
CA9 Q16790 6/20 0.34
LPAR2 Q9HBW0 5/20 0.34
CA12 O43570 3/20 0.34
CA7 P43166 3/20 0.34
CA14 Q9ULX7 3/20 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
SCHEMBL6511717 0.91 ADRB2 (0.36) TSHRCA1CA2
SCHEMBL26106906 0.78 LPAR3 (0.43) TSHRTHRBMEN1HTTKMT2A
SCHEMBL11791100 0.78 LPAR3 (0.43) TSHRTHRBMEN1HTTKMT2A
SCHEMBL11747425 0.78 CES1 (0.41) RECQLTSHRGLAHPGDMAPK1
SCHEMBL24829886 0.75 THRB (0.44) TSHRTHRBMEN1HTTKMT2A
SCHEMBL4505591 0.75 THRB (0.44) TSHRTHRBMEN1HTTKMT2A
SCHEMBL278721 0.75 THRB (0.44) TSHRTHRBMEN1HTTKMT2A
SCHEMBL16311961 0.75 THRB (0.44) TSHRTHRBMEN1HTTKMT2A
SCHEMBL127022 0.75 THRB (0.44) TSHRTHRBMEN1HTTKMT2A
SCHEMBL16311963 0.75 THRB (0.44) TSHRTHRBMEN1HTTKMT2A

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-4049748-A CHEMICAL RESISTANCE CHATTEM DRUG & CHEMICAL COMPANY (US) 1977-09-20 US disclosed