SCHEMBL8519624

SCHEMBL8519624

C=C(C)C(=O)OC.C=C(O)C(=O)OC1CC(C)CCC1C(C)C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.50
ALDH1A1 P00352 8/20 0.44
HPGD P15428 1/20 0.44
CYP19A1 P11511 2/20 0.43
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RX4 Q99571 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL8396914 0.91 EPHX1 (0.55) EPHX1ALDH1A1HPGDCYP19A1CA1
SCHEMBL5354058 0.88 EPHX1 (0.55) EPHX1ALDH1A1HPGDCYP19A1LMNA
SCHEMBL14559200 0.88 EPHX1 (0.55) EPHX1ALDH1A1HPGDCYP19A1LMNA
SCHEMBL1320016 0.88 EPHX1 (0.55) EPHX1ALDH1A1HPGDCYP19A1LMNA
Methacrylic Acid SCHEMBL17603229 0.87 EPHX1 (0.51) EPHX1ALDH1A1HPGDCYP19A1CA1
SCHEMBL13932935 0.83 EPHX1 (0.59) EPHX1ALDH1A1HPGDCYP19A1CA1
SCHEMBL9715760 0.83 EPHX1 (0.59) EPHX1ALDH1A1HPGDCYP19A1CA1
SCHEMBL1336452 0.82 EPHX1 (0.56) EPHX1ALDH1A1HPGDCYP19A1CA1
SCHEMBL28581609 0.82 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1LMNA
SCHEMBL16194851 0.80 EPHX1 (0.61) EPHX1ALDH1A1HPGDCYP19A1CA1

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
US-5973094-A Functional polymers WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-26 US disclosed
EP-0794199-A2 Novel functional polymers WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 1997-09-10 EP disclosed