SCHEMBL7568085

SCHEMBL7568085

C=C(C)C(=O)NCCCC(=O)OCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PAM P19021 2/20 0.49
▸ PLA2G4A P47712 1/20 0.37
▸ ADRA1A P35348 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ PLA2G2A P14555 1/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ DGKA P23743 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL27780836 0.83 CYP1A2 (0.47) EPHX2CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL1557480 0.81 ADRA1A (0.53) PLA2G4AADRA1AEPHX2TSHRPLA2G2A
SCHEMBL19528803 0.81 CYP1A2 (0.44) EPHX2CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL12231522 0.80 PAM (0.38) PAMADRA1AEPHX2PLA2G2AALDH1A1
SCHEMBL23031134 0.79 TSHR (0.53) EPHX2TSHRCYP2C19ALDH1A1CYP3A4
SCHEMBL10081657 0.79 ALDH1A1 (0.50) EPHX2CYP2C19ALDH1A1CYP3A4DGKA
SCHEMBL18884967 0.78 ADRA1A (0.50) PLA2G4AADRA1AEPHX2TSHRPLA2G2A
SCHEMBL10080728 0.77 EPHX2 (0.50) EPHX2TSHRALDH1A1CYP3A4DGKA
SCHEMBL7575361 0.77 TSHR (0.33) PLA2G4AADRA1AEPHX2TSHRALDH1A1
SCHEMBL12332685 0.76 TSHR (0.50) ADRA1AEPHX2TSHRALDH1A1KDM4E

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
EP-0927751-B1 Smear resistant pigmented ink jet inks containing Beta-diketone or ureido dispersants DU PONT (US) 2002-09-11 — — EP claimed
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