SCHEMBL28756178

SCHEMBL28756178

C=CCOCC(OCC=C)OCCCC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CA7 P43166 1/20 0.35
PLA2G2C Q5R387 1/20 0.33
TSHR P16473 3/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL28534846 0.78 TSHR (0.39) CA1CA2TSHRHPGDALDH1A1
SCHEMBL9502490 0.76 TSHR (0.42) TSHRHPGD
SCHEMBL8651844 0.76 CA1 (0.39) CA1CA2CA9CA7ALDH1A1
SCHEMBL4565926 0.75 LPAR1 (0.51) PLA2G2CALDH1A1
SCHEMBL582638 0.75 TSHR (0.33) CA1CA2TSHR
SCHEMBL8954043 0.74 CA1 (0.45) CA1CA2CA9MEN1POLB
SCHEMBL28348882 0.74 TSHR (0.33) TSHRHPGD
SCHEMBL42944 0.74
SCHEMBL24470522 0.74 LPAR1 (0.54) PLA2G2C
SCHEMBL11299369 0.74 LPAR1 (0.54) PLA2G2C

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
CN-1775384-B Method for washing metal container and resin formed article JSR CORP 2011-06-08 CN disclosed
CN-1775384-A Method for washing metal container and resin formed article JSR CORP (JP) 2006-05-24 CN disclosed