SCHEMBL28832991

SCHEMBL28832991

BOC(=O)CCC(=O)OCC=CC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ADRA2A P08913 1/20 0.34
ADRA1A P35348 1/20 0.34
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
NR1I2 O75469 1/20 0.30
PGR P06401 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
PTGS2 P35354 1/20 0.30
PDE4D Q08499 1/20 0.30
HTR2C P28335 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
SCHEMBL448049 0.89 ADRA2A (0.41) TSHRADRA2AADRA1AMAPTBLM
SCHEMBL27279321 0.81 EGLN1 (0.43) TSHRADRA2AADRA1AMAPTBLM
SCHEMBL3455393 0.81 CYP1A2 (0.47) TSHRNR1I2PGRADORA3PTGS2
SCHEMBL6552702 0.80 TSHR (0.52) TSHRMAPTNR1I2PGRADORA3
SCHEMBL6550916 0.80 TSHR (0.52) TSHRMAPTNR1I2PGRADORA3
SCHEMBL27450682 0.80 TSHR (0.52) TSHRMAPTNR1I2PGRADORA3
SCHEMBL27331787 0.80 TSHR (0.47) TSHRADRA2AADRA1AMAPTNR1I2
SCHEMBL9911957 0.80 KDM4E (0.52) TSHRADRA2AADRA1AMAPTBLM
SCHEMBL28177202 0.79 TSHR (0.35) TSHRADRA2AADRA1AMAPTBLM
SCHEMBL6552434 0.78 TSHR (0.55) TSHRMAPTNR1I2PGRADORA3

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
CN-104145010-B Lubricating oil composition 出光兴产株式会社 2016-08-31 CN disclosed