SCHEMBL9617786

SCHEMBL9617786

C=CCOc1ccc(OC(=O)C2CCC(CC)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
F2 P00734 1/20 0.43
ELANE P08246 1/20 0.43
POLB P06746 2/20 0.42
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 2/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
TSHR P16473 2/20 0.39
MTNR1A P48039 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL9617785 1.00 SMN1; SMN2 (0.46) SMN1; SMN2HTTKMT2ATDP1MAPT
SCHEMBL9458110 0.87 SMN1; SMN2 (0.41) SMN1; SMN2HTTKMT2ATDP1MAPT
SCHEMBL9458101 0.87 SMN1; SMN2 (0.41) SMN1; SMN2HTTKMT2ATDP1MAPT
SCHEMBL20045170 0.86 KMT2A (0.61) SMN1; SMN2HTTKMT2ATDP1MAPT
SCHEMBL12154218 0.86 KMT2A (0.61) SMN1; SMN2HTTKMT2ATDP1MAPT
SCHEMBL1895159 0.85 KMT2A (0.53) SMN1; SMN2HTTKMT2ATDP1MAPT
SCHEMBL8366016 0.84 SMN1; SMN2 (0.46) SMN1; SMN2HTTKMT2ATDP1MAPT
SCHEMBL9615830 0.84 NPC1 (0.43) SMN1; SMN2HTTKMT2ATDP1MAPT
SCHEMBL9458580 0.84 SMN1; SMN2 (0.43) SMN1; SMN2HTTKMT2ATDP1MAPT
SCHEMBL9458587 0.84 SMN1; SMN2 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4059745-A None JP disclosed
JP-H0459745-A ESTER COMPOUND SEIKO EPSON CORP 1992-02-26 JP disclosed