SCHEMBL9747801

SCHEMBL9747801

CCOC(C(=O)O)=C(CC)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SOAT1 P35610 1/20 0.41
GLO1 Q04760 1/20 0.38
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34
MAPT P10636 1/20 0.34
TRPA1 O75762 1/20 0.33
FFAR3 O14843 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2D6 P10635 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
TSHR P16473 1/20 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
SCHEMBL9739514 0.86 SOAT1 (0.44) ALDH1A1LMNAHSD17B10SOAT1GLO1
SCHEMBL10601454 0.86 SOAT1 (0.44) ALDH1A1LMNAHSD17B10SOAT1GLO1
SCHEMBL9739502 0.86 SOAT1 (0.44) ALDH1A1LMNAHSD17B10SOAT1GLO1
SCHEMBL11658288 0.78 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10SOAT1GLO1
SCHEMBL30174535 0.77 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10SOAT1ALOX15
SCHEMBL16446464 0.75 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10SOAT1GLO1
SCHEMBL16446460 0.75 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10SOAT1GLO1
SCHEMBL16446463 0.75 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10SOAT1GLO1
SCHEMBL7639695 0.74 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10SOAT1GLO1
SCHEMBL7639712 0.74 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10SOAT1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497910-A4 CAMPTOTHECIN ANALOGS AS POTENT INHIBITORS OF HUMAN COLORECTAL CANCER 1992-10-21 EP disclosed
EP-0497910-A1 CAMPTOTHECIN ANALOGS AS POTENT INHIBITORS OF HUMAN COLORECTAL CANCER RESEARCH TRIANGLE INSTITUTE (US) 1992-08-12 EP disclosed
EP-0436653-A4 SYNTHESIS OF CAMPTOTHECIN AND ANALOGS THEREOF 1992-01-15 EP disclosed
EP-0436653-A1 SYNTHESIS OF CAMPTOTHECIN AND ANALOGS THEREOF RESEARCH TRIANGLE INSTITUTE (US) 1991-07-17 EP disclosed
WO-1991005556-A1 CAMPTOTHECIN ANALOGS AS POTENT INHIBITORS OF HUMAN COLORECTAL CANCER RESEARCH TRIANGLE INSTITUTE (US) 1991-05-02 WO disclosed