SCHEMBL8604656

SCHEMBL8604656

C=CC(=C(C)C(=O)O)C12CCC(CC1)C2

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 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
SCHEMBL703643 0.78 ALDH1A1 (0.37) ALDH1A1HTTNPSR1KMT2A
SCHEMBL245977 0.78 ALDH1A1 (0.37) ALDH1A1HTTNPSR1KMT2A
SCHEMBL3766816 0.74 ALDH1A1 (0.34) ALDH1A1HTTNPSR1
Acrylic Acid SCHEMBL16930389 0.73 LMNA (0.39) ALDH1A1HTTNPSR1KMT2A
SCHEMBL7253569 0.71 HTT (0.36) ALDH1A1HTTNPSR1KMT2A
SCHEMBL9512535 0.71 ALDH1A1 (0.42) ALDH1A1HTTNPSR1KMT2A
SCHEMBL7764778 0.71 ALDH1A1 (0.37) ALDH1A1HTTNPSR1KMT2A
SCHEMBL7760564 0.71 ALDH1A1 (0.41) ALDH1A1HTTNPSR1KMT2A
SCHEMBL126307 0.70 ALDH1A1 (0.36) ALDH1A1HTTNPSR1KMT2A
SCHEMBL152754 0.68 ALDH1A1 (0.40) ALDH1A1HTTNPSR1KMT2A

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
WO-1998000750-A1 PROCESS FOR PRODUCING LIQUID CRYSTAL ALIGNMENT LAYER AND LIQUID CRYSTAL DISPLAY DEVICE WITH THE USE OF THE SAME HOECHST RESEARCH & TECHNOLOGY DEUTSCHLAND GMBH & CO. KG (DE) 1998-01-08 WO disclosed