SCHEMBL29677145

SCHEMBL29677145

S=C(SSCCCCCCCSSC(=S)N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.71
ALDH1A1 P00352 7/20 0.58
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
ALDH2 P05091 2/20 0.41
GAA P10253 1/20 0.41
FAAH O00519 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.38
CA12 O43570 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
SCHEMBL23927809 1.00 MGLL (0.71) MGLLALDH1A1HDAC3HDAC4HDAC1
SCHEMBL23927811 1.00 MGLL (0.71) MGLLALDH1A1HDAC3HDAC4HDAC1
SCHEMBL21947395 1.00 MGLL (0.71) MGLLALDH1A1HDAC3HDAC4HDAC1
SCHEMBL813128 1.00 MGLL (0.71) MGLLALDH1A1HDAC3HDAC4HDAC1
SCHEMBL23927812 1.00 MGLL (0.71) MGLLALDH1A1HDAC3HDAC4HDAC1
Hydrogen Sulfide SCHEMBL15021803 0.98 MGLL (0.69) MGLLALDH1A1HDAC3HDAC4HDAC1
SCHEMBL23927810 0.98 MGLL (0.73) MGLLALDH1A1HDAC3HDAC4HDAC1
SCHEMBL29677031 0.95 MGLL (0.73) MGLLALDH1A1HDAC3HDAC4HDAC1
SCHEMBL15048865 0.93 MGLL (0.61) MGLLALDH1A1HDAC3HDAC4HDAC1
SCHEMBL22749487 0.93 MGLL (0.61) MGLLALDH1A1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228754-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2024-07-11 US disclosed
CN-109422938-B Pneumatic tire having tread comprising alkoxysilane-terminated polybutadiene 固特异轮胎和橡胶公司 2024-04-19 CN disclosed
CN-113329891-B Rubber composition and tire 住友橡胶工业株式会社 2024-02-09 CN disclosed
CN-115895070-A Rubber composition and tire 固特异轮胎和橡胶公司 2023-04-04 CN disclosed
CN-115873325-A Rubber composition and tire 固特异轮胎和橡胶公司 2023-03-31 CN disclosed
CN-109721771-B Rubber composition and pneumatic tire 住友橡胶工业株式会社 2022-09-20 CN disclosed
CN-115073831-A Pneumatic tire with tread comprising three elastomers 固特异轮胎和橡胶公司 2022-09-20 CN disclosed
CN-111094428-B Rubber composition 住友化学株式会社 2022-07-15 CN disclosed