SCHEMBL8818604

SCHEMBL8818604

O=C(O)CCCCCC(C(=O)O)N1C(=O)CC(O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
PPM1B O75688 1/20 0.43
MME P08473 1/20 0.41
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
APEX1 P27695 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGER4 P35408 8/20 0.37
PTGER2 P43116 7/20 0.37
PTGER3 P43115 6/20 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
SCHEMBL9291274 0.86 MME (0.44) CYP2C19CYP1A2MMEPTGER4PTGER2
SCHEMBL2325576 0.82 MME (0.40) CYP2C19CYP1A2PPM1BMMECYP3A4
SCHEMBL5142303 0.82 MME (0.40) CYP2C19CYP1A2PPM1BMMECYP3A4
SCHEMBL16339806 0.79 MME (0.47) CYP2C19CYP1A2PPM1BMMECYP3A4
SCHEMBL846234 0.79 ALDH1A1 (0.47) CYP2C19CYP1A2PPM1BCYP3A4HPGD
SCHEMBL17821007 0.79 ALDH1A1 (0.47) CYP2C19CYP1A2PPM1BCYP3A4HPGD
SCHEMBL1055459 0.79 CYP1A2 (0.45) CYP2C19CYP1A2PPM1BMMECYP3A4
SCHEMBL30773222 0.77 ALDH1A1 (0.49) CYP2C19CYP1A2PPM1BCYP3A4HPGD
SCHEMBL9853724 0.76 MME (0.47) CYP2C19CYP1A2PPM1BMMEALDH1A1
SCHEMBL4594736 0.76 MAPK1 (0.46) CYP2C19CYP1A2PPM1BMMEMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997029715-A1 COMPOSITIONS AND METHODS FOR SEALING TISSUE AND PREVENTING POST-SURGICAL ADHESIONS FUSION MEDICAL TECHNOLOGIES, INC. (US) 1997-08-21 WO disclosed