SCHEMBL9458587

SCHEMBL9458587

C=CCCCC1CCC(C(=O)Oc2ccc(OCC=C)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 4/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 3/20 0.42
F2 P00734 1/20 0.41
ELANE P08246 2/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.38
MTNR1A P48039 1/20 0.37
LSS P48449 1/20 0.37
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL9458580 1.00 SMN1; SMN2 (0.43) SMN1; SMN2HTTKMT2ATDP1NPC1
SCHEMBL10798429 0.89 KMT2A (0.42) SMN1; SMN2HTTKMT2ATDP1NPC1
SCHEMBL10798435 0.89 KMT2A (0.42) SMN1; SMN2HTTKMT2ATDP1NPC1
SCHEMBL9458101 0.88 SMN1; SMN2 (0.41) SMN1; SMN2HTTKMT2ATDP1NPC1
SCHEMBL9458110 0.88 SMN1; SMN2 (0.41) SMN1; SMN2HTTKMT2ATDP1NPC1
SCHEMBL10799197 0.87 ALDH1A1 (0.43) SMN1; SMN2HTTKMT2ATDP1MAPT
SCHEMBL10799191 0.87 ALDH1A1 (0.43) SMN1; SMN2HTTKMT2ATDP1MAPT
SCHEMBL9257519 0.86 KMT2A (0.44) SMN1; SMN2HTTKMT2ATDP1F2
SCHEMBL9257522 0.86 KMT2A (0.44) SMN1; SMN2HTTKMT2ATDP1F2
SCHEMBL9250383 0.86 KMT2A (0.44) SMN1; SMN2HTTKMT2ATDP1MAPT

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
US-5238602-A Electrooptical cells HOFFMANN LA ROCHE INC. (US) 1993-08-24 US disclosed