SCHEMBL6941606

SCHEMBL6941606

CCCCC(C(=O)O)N1C(=O)C=C(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.41
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
APEX1 P27695 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA2 P00918 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL8468436 0.96 PTPN1 (0.39) PTPN1MAPK1KDM4EALDH1A1TP53
SCHEMBL6937953 0.94 GPR84 (0.40) PTPN1MAPK1KDM4EALDH1A1TP53
SCHEMBL9064640 0.83 ALDH1A1 (0.55) MAPK1KDM4EALDH1A1TP53GLA
SCHEMBL8887852 0.83 ALDH1A1 (0.34) MAPK1KDM4EALDH1A1TP53GLA
SCHEMBL9064577 0.80 ALDH1A1 (0.40) MAPK1KDM4EALDH1A1TP53GLA
SCHEMBL7469680 0.79 PTPN1 (0.42) PTPN1MAPK1KDM4EALDH1A1TP53
SCHEMBL43970 0.79 PTPN1 (0.42) PTPN1MAPK1KDM4EALDH1A1TP53
Hydrochloric Acid SCHEMBL7462193 0.78 PTPN1 (0.41) PTPN1MAPK1KDM4EALDH1A1TP53
Hydrochloric Acid SCHEMBL4277446 0.78 PTPN1 (0.41) PTPN1MAPK1KDM4EALDH1A1TP53
SCHEMBL6939609 0.74 GPR84 (0.43) PTPN1MAPK1KDM4EALDH1A1TP53

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
EP-1016659-B1 Bismaleimides comprising mesogenic groups and oligomeric liquid crystalline bismaleimides DAINIPPON INK & CHEMICALS (JP) 2003-09-24 EP disclosed
US-6169186-B1 LIQUID CRYSTALS AND LIQUID CRYSTALLINE POLYMERS DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-01-02 US disclosed
EP-1016659-A1 Bismaleimides comprising mesogenic groups and oligomeric liquid crystalline bismaleimides DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-07-05 EP disclosed