SCHEMBL9813653

SCHEMBL9813653

O=C1OCC1C1=CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
TLR4 O00206 1/20 0.34
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32

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
SCHEMBL14694072 0.72 KDM1A (0.44) KDM1ATLR4
SCHEMBL10258695 0.72 KDM1A (0.44) KDM1ATLR4
SCHEMBL130772 0.71 TLR4 (0.56) KDM1ATLR4
SCHEMBL10153017 0.70 KDM1A (0.39) KDM1A
SCHEMBL35359 0.69
SCHEMBL2392910 0.68 KDM1A (0.48) KDM1A
SCHEMBL5259791 0.67 KDM1A (0.52) KDM1ATLR4
SCHEMBL20845463 0.67 KDM1A (0.47) KDM1ATLR4
SCHEMBL30130600 0.67 TLR4 (0.56) KDM1ATLR4
SCHEMBL22577448 0.67 TLR4 (0.39) TLR4GABRPGABRDGABRA1GABRB1

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-0219199-B1 METHOD FOR PREPARATION OF LACTONES COULSTON INTERNATIONAL CORPORATION (US) 1991-07-31 EP disclosed
US-4772728-A AND ALDEHYDE ANGUS CHEMICAL COMPANY (US) 1988-09-20 US disclosed
EP-0219199-A1 Method for preparation of lactones COULSTON INTERNATIONAL CORPORATION (US) 1987-04-22 EP disclosed