SCHEMBL7183331

SCHEMBL7183331

C=CC(O)C(N)(CCCC)C(O)C=C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.36
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
PTGS1 P23219 1/20 0.31
PPARG P37231 1/20 0.31
OPRK1 P41145 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
SMPD1 P17405 2/20 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
SCHEMBL16601030 0.75 TSHR (0.31) ALDH1A1TSHRPTGS1PPARGOPRK1
SCHEMBL24726826 0.71 ABCG2 (0.34) FDPSALDH1A1TSHRPTGS1PPARG
SCHEMBL1705412 0.71 FAAH (0.30)
SCHEMBL15570719 0.68 ABCG2 (0.33) FDPSALDH1A1TSHRPTGS1PPARG
SCHEMBL504337 0.67 FDPS (0.39) FDPSTSHRSMPD1
SCHEMBL7036676 0.67 FDPS (0.43) FDPSSMPD1
SCHEMBL18676132 0.66 FDPS (0.43) FDPSALDH1A1TSHRSMPD1
SCHEMBL16714816 0.66 FDPS (0.38) FDPSALDH1A1TSHRSMPD1
Ammonia Solution, Strong SCHEMBL28391001 0.66 FDPS (0.38) FDPSTSHRSMPD1
SCHEMBL3676595 0.65 FDPS (0.45) FDPSSMPD1

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-1358241-A1 VINYL ETHER RESINS FOR STRUCTURAL APPLICATIONS DSM IP Assets B.V. (NL) 2003-11-05 EP disclosed
WO-2002051903-A1 VINYL ETHER RESINS FOR STRUCTURAL APPLICATIONS DSM IP ASSETS B.V. (NL) 2002-07-04 WO disclosed