SCHEMBL7700745

SCHEMBL7700745

C=C(CCC1CCCCO1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 3/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
MGLL Q99685 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL134536 0.95 ALDH1A1 (0.45) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL1769954 0.89 EPHX1 (0.35) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
Methacrylic Acid SCHEMBL17503448 0.89 ALDH1A1 (0.41) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
Acrylic Acid SCHEMBL10711230 0.87 ALDH1A1 (0.40) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
Maleic Anhydride SCHEMBL10594374 0.82 HPGD (0.37) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL534243 0.82 HPGD (0.41) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL4178282 0.82 ALDH1A1 (0.53) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL18269655 0.82 ALDH1A1 (0.53) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL3363683 0.77 ALDH1A1 (0.37) ALDH1A1HTT
SCHEMBL4537923 0.77 ALDH1A1 (0.37) ALDH1A1HTT

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-0957885-B1 IMPROVEMENTS IN OR RELATING TO POLYMERISABLE CEMENT COMPOSITIONS DAVIS SCHOTTLANDER & DAVIS LTD (GB) 2002-07-31 EP claimed