SCHEMBL9729457

SCHEMBL9729457

COCOC1CCC(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
PMP22 Q01453 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35

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
SCHEMBL754040 1.00 LMNA (0.41) LMNAPLGPLATGABRPGABRD
SCHEMBL17676817 0.90 PLG (0.34) LMNAPLGPLATMME
SCHEMBL8191503 0.89 PLG (0.34) LMNAPLGPLATPDE4APDE4B
SCHEMBL5011525 0.82 GAA (0.43) TSHRMMEGAAALDH1A1KMT2A
SCHEMBL4924414 0.82 GAA (0.43) TSHRMMEGAAALDH1A1KMT2A
SCHEMBL13273683 0.82 PLG (0.39) LMNAPLGPLATGABRPGABRD
SCHEMBL601347 0.81 LMNA (0.45) LMNAPLGPLATGABRPGABRD
SCHEMBL8453791 0.81 LMNA (0.45) LMNAPLGPLATGABRPGABRD
Cyclopropane Carboxylic Acid SCHEMBL28328958 0.81 LMNA (0.45) LMNAPLGPLATGABRPGABRD
SCHEMBL13735804 0.80

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-5175290-A Bronchodilator, cardiotonic agents MARION MERRELL DOW INC. (US) 1992-12-29 US disclosed