SCHEMBL6599869

SCHEMBL6599869

C=CCOCC=C.OCCCCCCCO

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 1/20 0.38
TSHR P16473 3/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CA9 Q16790 1/20 0.34
POLB P06746 1/20 0.33
GPR84 Q9NQS5 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL472068 1.00 CA1 (0.38) CA1CA2CA7TSHRLMNA
SCHEMBL6600382 1.00 CA1 (0.38) CA1CA2CA7TSHRLMNA
1,6-Hexanediol SCHEMBL472147 1.00 CA1 (0.38) CA1CA2CA7TSHRLMNA
SCHEMBL472093 1.00 CA1 (0.38) CA1CA2CA7TSHRLMNA
1,5-Pentanediol SCHEMBL472091 1.00 CA1 (0.38) CA1CA2CA7TSHRLMNA
1,4-Butanediol SCHEMBL865857 0.97 CA1 (0.39) CA1CA2CA7TSHRLMNA
Butadiene SCHEMBL27545001 0.95 CA1 (0.35) CA1CA2CA7TSHRLMNA
SCHEMBL27518172 0.93 CA1 (0.34) CA1CA2CA7TSHRLMNA
1,3-Propanediol SCHEMBL1773540 0.92 CA1 (0.39) CA1CA2CA7TSHRALDH1A1
Dodecanol SCHEMBL28619410 0.89 TSHR (0.56) TSHRLMNAALDH1A1MEN1KMT2A

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
EP-1046078-B1 LIQUID CRYSTAL DEVICE ALIGNMENT AND METHOD OF MAKING SUCH A DEVICE HEWLETT PACKARD CO (US) 2004-05-12 EP disclosed
US-6727968-B1 Liquid crystal device alignment HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2004-04-27 US disclosed