SCHEMBL9195478

SCHEMBL9195478

COc1ccc2c(c1)CCC(C(=O)O)C2N

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A9 P48067 1/20 0.46
SRD5A1 P18405 2/20 0.45
MTNR1A P48039 2/20 0.44
CYP19A1 P11511 1/20 0.44
MTNR1B P49286 1/20 0.44
ACHE P22303 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B1 P14061 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL909405 0.84 PPARD (0.49) PPARDDRD2DRD3SLC6A9SRD5A1
SCHEMBL8409809 0.84 SLC6A9 (0.50) PPARDSLC6A9SRD5A1MTNR1ACYP19A1
SCHEMBL1844946 0.80 PPARD (0.52) PPARDDRD2DRD3SLC6A9SRD5A1
SCHEMBL1479951 0.78 CYP19A1 (0.56) PPARDSLC6A9SRD5A1MTNR1ACYP19A1
SCHEMBL10796511 0.78 TRPV1 (0.41) SRD5A1LMNA
SCHEMBL22867687 0.77 DRD2 (0.53) DRD2DRD3SRD5A1CYP19A1LMNA
SCHEMBL15157394 0.76 LMNA (0.52) PPARDSLC6A9SRD5A1CYP19A1LMNA
SCHEMBL30563632 0.76 DRD2 (0.58) DRD2DRD3SRD5A1CYP19A1ACHE
SCHEMBL26962573 0.76 DRD2 (0.58) DRD2DRD3SRD5A1CYP19A1ACHE
SCHEMBL268865 0.76 DRD2 (0.58) DRD2DRD3SRD5A1CYP19A1ACHE

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
EP-0637302-A1 ARTHROPODICIDAL OXA- AND THIA-ZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-02-08 EP disclosed