SCHEMBL7128767

SCHEMBL7128767

C=C(C)C(=O)OCC(COC(=O)C(=C)C)(COC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2)COC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALOX12 P18054 1/20 0.33
ALOX15 P16050 1/20 0.33
POLB P06746 1/20 0.32
P2RX7 Q99572 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL7131067 1.00 MEN1 (0.39) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL7131070 0.94 MEN1 (0.36) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL7120797 0.82 ALDH1A1 (0.42) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL7131314 0.82 ALDH1A1 (0.42) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL7133628 0.82 SMN1; SMN2 (0.42) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL7129200 0.76 ALDH1A1 (0.40) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7801826 0.76 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TSHR
SCHEMBL6559249 0.75 NPSR1 (0.47) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL7797401 0.74 MEN1 (0.49) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL677902 0.74 MEN1 (0.34) MEN1KMT2AMAPTSMN1; SMN2GAA

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-6670499-B1 Bis-Methacryloyloxy-adamantanedicarboxylate derivatives; raw materials for dental materials and lenses; transparency, luster, hardness, water resistance DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-12-30 US disclosed
EP-1164125-A1 ADAMANTANE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Daicel Chemical Industries, Ltd. (JP) 2001-12-19 EP disclosed