SCHEMBL9337688

SCHEMBL9337688

CCCCCCCCCCCCCCCCCCOc1ccc(C=CC(=S)c2ccc(CCC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.51
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ BCHE P06276 3/20 0.47
▸ ACHE P22303 2/20 0.47
▸ PLA2G4B P0C869 1/20 0.46
▸ SAE1 Q9UBE0 1/20 0.46
▸ UBA2 Q9UBT2 1/20 0.46
▸ MEN1 O00255 1/20 0.45

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
SCHEMBL9339930 1.00 ABCG2 (0.51) ABCG2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9339881 1.00 ABCG2 (0.51) ABCG2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9339839 1.00 ABCG2 (0.51) ABCG2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9337816 1.00 ABCG2 (0.51) ABCG2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9338167 1.00 ABCG2 (0.51) ABCG2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9338454 1.00 ABCG2 (0.51) ABCG2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9339738 1.00 ABCG2 (0.51) ABCG2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9338151 1.00 ABCG2 (0.51) ABCG2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9342405 1.00 ABCG2 (0.51) ABCG2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9338047 1.00 ABCG2 (0.51) ABCG2HDAC3HDAC4HDAC1HDAC7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328668-B1 NONLINEAR OPTICAL MATERIAL NIPPON OILS & FATS CO LTD (JP) 1994-05-25 — — EP disclosed
US-5045239-A Chalcone derivative NIPPON OIL AND FATS CO., LTD. (JP) 1991-09-03 — — US disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
EP-0328668-A1 NONLINEAR OPTICAL MATERIAL NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
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