SCHEMBL11237840

SCHEMBL11237840

CCCCCCCCCCCCCCCCC(Br)(Br)CCC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
GGPS1 O95749 6/20 0.39
FDPS P14324 9/20 0.38
EPHX1 P07099 1/20 0.38
SMPD1 P17405 2/20 0.37
CES2 O00748 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37

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
SCHEMBL27593546 1.00 TSHR (0.44) TSHRTHRBGGPS1FDPSEPHX1
SCHEMBL5259843 1.00 TSHR (0.44) TSHRTHRBGGPS1FDPSEPHX1
SCHEMBL27507939 0.94 TSHR (0.50) TSHRTHRBGGPS1FDPSEPHX1
SCHEMBL6001216 0.94 TSHR (0.50) TSHRTHRBGGPS1FDPSEPHX1
SCHEMBL2040616 0.88 TSHR (0.35) TSHRTHRBFDPS
SCHEMBL27548205 0.88 TSHR (0.41) TSHRTHRBGGPS1FDPSEPHX1
SCHEMBL15111129 0.83 TSHR (0.44) TSHRTHRBGGPS1FDPSEPHX1
SCHEMBL875211 0.83 TSHR (0.44) TSHRTHRBGGPS1FDPSEPHX1
SCHEMBL28318572 0.83 TSHR (0.44) TSHRTHRBGGPS1FDPSEPHX1
SCHEMBL10718140 0.82 TSHR (0.38) TSHRTHRBGGPS1FDPSEPHX1

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-4317934-A Preparation of carbonyl compounds ETHYL CORPORATION (US) 1982-03-02 US disclosed