SCHEMBL8942370

SCHEMBL8942370

C=CCN(CCCCC)C(=O)C(=C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 4/20 0.43
ZDHHC2 Q9UIJ5 2/20 0.43
ALDH1A1 P00352 1/20 0.40
FAAH O00519 1/20 0.38
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA9 Q16790 3/20 0.36
TSHR P16473 4/20 0.36
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
MGLL Q99685 1/20 0.33

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
SCHEMBL20274382 0.98 ZDHHC20 (0.45) ZDHHC20ZDHHC2ALDH1A1FAAHCA12
SCHEMBL21387586 0.98 ZDHHC20 (0.45) ZDHHC20ZDHHC2ALDH1A1FAAHCA12
SCHEMBL24063928 0.95 CA12 (0.41) ZDHHC20ZDHHC2ALDH1A1FAAHCA12
SCHEMBL380822 0.85 CA12 (0.43) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL20287509 0.85 ALDH1A1 (0.39) ZDHHC20ZDHHC2ALDH1A1
SCHEMBL20274377 0.85 ALDH1A1 (0.39) ZDHHC20ZDHHC2ALDH1A1
SCHEMBL134107 0.84 ALDH1A1 (0.41) ALDH1A1
SCHEMBL375827 0.83 TSHR (0.46) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL372624 0.83 TSHR (0.46) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL372656 0.83 TSHR (0.46) ZDHHC20ZDHHC2CA12CA1CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556835-A CROSSLINKED ABSORBENT RESIN FOR ESSENTIAL OIL NIPPON SHOKUBAI CO., LTD. (JP) 1996-09-17 US claimed
EP-0631788-A1 Gel-like fragrance composition NIPPON SHOKUBAI CO., LTD. (JP) 1995-01-04 EP claimed
US-20160244882-A1 METHOD FOR AUTOPHORETIC COATING OF METALLIC SUBSTRATES WITH AFTERTREATMENT OF THE COATING WITH AN AQUEOUS SOL-GEL COMPOSITION BASF COATINGS GMBH (DE) 2016-08-25 US disclosed
CN-104231169-A Double-tailed acrylamide hydrophobic associated polymer and preparation method thereof UNIV SOUTHWEST PETROLEUM 2014-12-24 CN disclosed