SCHEMBL7634585

SCHEMBL7634585

O=C1CCCC(Cc2ccccc2)O1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.46
F2 P00734 2/20 0.45
PRSS1 P07477 2/20 0.45
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
HSD11B1 P28845 1/20 0.41
CTRB1 P17538 1/20 0.39
FASN P49327 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL5688628 0.95 GRM2 (0.45) GRM2F2PRSS1SLC6A2SLC6A4
SCHEMBL6496581 0.89 GRM2 (0.49) GRM2F2PRSS1SLC6A2SLC6A4
SCHEMBL14486238 0.89 GRM2 (0.49) GRM2F2PRSS1SLC6A2SLC6A4
SCHEMBL7628338 0.76 GRM2 (0.53) GRM2F2PRSS1SLC6A2SLC6A4
SCHEMBL577122 0.75 ALDH1A1 (0.47) SLC6A2SLC6A4CYP2D6
SCHEMBL4975451 0.75 TAAR1 (0.42) GRM2F2PRSS1TSHRHTT
SCHEMBL2485320 0.73 P2RX7 (0.38) SLC6A2SLC6A4SLC6A3POLBCYP2D6
SCHEMBL25253641 0.72 CYP26A1 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL9452532 0.72 CYP1A2 (0.44)
SCHEMBL17022698 0.72 GRM2 (0.46) GRM2F2PRSS1SLC6A2SLC6A4

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
US-6458348-B1 Use of water-soluble polymers as biocides BASF AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed
EP-0915915-B1 WATER SOLUBLE POLYMERS AND THEIR USE IN COSMETIC FORMULATIONS BASF AG (DE) 2001-10-31 EP disclosed
US-6271327-B1 HYDROXYALKYLACRYLIC AMIDES AND DIHYDROXYALKYLACRYLIC IMIDE POLYMERS BASF AKTIENGESELLSCHAFT (DE) 2001-08-07 US disclosed