SCHEMBL9788936

SCHEMBL9788936

CC(C)(C)c1ccccc1/C=C/C(=O)S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.50
MAOB P27338 7/20 0.43
P4HB P07237 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 1/20 0.39
BACE1 P56817 1/20 0.39
NFE2L2 Q16236 2/20 0.39
JUN P05412 1/20 0.39
TNFRSF1A P19438 1/20 0.39
TFEB P19484 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 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
SCHEMBL22026727 0.85 NFKB1 (0.68) NFKB1MAOBP4HBABCG2LMNA
SCHEMBL8402490 0.84 NFKB1 (0.56) NFKB1MAOBP4HBABCG2MAPT
SCHEMBL818741 0.84 NFKB1 (0.56) NFKB1MAOBP4HBABCG2MAPT
SCHEMBL8529144 0.82 NFKB1 (0.50) NFKB1MAOBP4HBABCG2LMNA
SCHEMBL24925445 0.79 HDAC8 (0.58) NFKB1MAOBMAOA
SCHEMBL13439649 0.78 MAOB (0.50) NFKB1MAOBP4HBABCG2LMNA
SCHEMBL13525438 0.78 MAOB (0.50) NFKB1MAOBP4HBABCG2LMNA
SCHEMBL8576453 0.78 ALDH1A1 (0.48) NFKB1MAOBP4HBABCG2ALDH1A1
SCHEMBL9789089 0.76 NFKB1 (0.43) NFKB1MAOBP4HBABCG2LMNA
SCHEMBL9788940 0.76 NFKB1 (0.43) NFKB1MAOBP4HBABCG2LMNA

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-3287137-A None JP disclosed
JP-H03287137-A ORGANIC NONLINEAR OPTICAL MATERIAL SEKISUI CHEM CO LTD 1991-12-17 JP disclosed