SCHEMBL8301036

SCHEMBL8301036

CCC(C(=O)O)C1Cc2ccccc2C1CC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 2/20 0.38
MTNR1A P48039 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 1/20 0.34
HHAT Q5VTY9 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
PPARA Q07869 1/20 0.33
DPP4 P27487 1/20 0.33
FAP Q12884 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL28908785 0.74 MEN1 (0.42) MTNR1BCYP1A2TSHRMTNR1AMEN1
SCHEMBL8298174 0.73 GRM7 (0.41) MTNR1BMTNR1A
SCHEMBL9489863 0.72 MTNR1A (0.46) MTNR1BCYP1A2TSHRMTNR1AMEN1
SCHEMBL8296922 0.72 PYGL (0.41) MTNR1BCYP1A2TSHRMTNR1AMEN1
SCHEMBL8298173 0.71 PPARA (0.53) PPARA
SCHEMBL16770603 0.70 SIGMAR1 (0.39) MTNR1BMTNR1ASIGMAR1
SCHEMBL464668 0.70 SIGMAR1 (0.39) MTNR1BMTNR1ASIGMAR1
SCHEMBL22768719 0.70 SIGMAR1 (0.39) MTNR1BMTNR1ASIGMAR1
SCHEMBL16770602 0.70 SIGMAR1 (0.39) MTNR1BMTNR1ASIGMAR1
SCHEMBL13616986 0.70 SIGMAR1 (0.39) MTNR1BMTNR1ASIGMAR1

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-0661273-B1 Indane derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1999-05-19 EP disclosed
US-5686452-A PROTECTING FROM ENDOTOXIN SHOCK; TREATMENT OF NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1997-11-11 US disclosed
EP-0661273-A1 Indane derivative and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1995-07-05 EP disclosed