SCHEMBL27646352

SCHEMBL27646352

C=CC(=O)OC(CC)C(C)C.O=C(O)C1CCC(C(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
LMNA P02545 1/20 0.33
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
ANPEP P15144 1/20 0.30
ENPEP Q07075 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
SCHEMBL27626347 0.89 ANPEP (0.33) TSHRANPEP
SCHEMBL2046277 0.85 TSHR (0.45) TSHRTHRBHPGD
SCHEMBL27626010 0.76 TSHR (0.34) TSHRHPGD
SCHEMBL27646346 0.75 TSHR (0.33) TSHR
SCHEMBL23494079 0.75 TSHR (0.42) TSHRTHRBHPGD
SCHEMBL1152046 0.74 TSHR (0.44) TSHRPLGPLATLMNA
SCHEMBL28758549 0.73 TSHR (0.40) TSHRHPGD
SCHEMBL27646431 0.73 TSHR (0.40) TSHRHPGD
SCHEMBL15856014 0.73 MAPT (0.34) LMNAKMT2A
SCHEMBL23494343 0.73 TSHR (0.44) TSHRTHRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101410646-A Torque limiter JTEKT CORP (JP) 2009-04-15 CN disclosed
CN-1784203-A Cosmetic composition containing cyclohexane polycarboxylic acid derivative BASF AG (DE) 2006-06-07 CN disclosed