SCHEMBL11221141

SCHEMBL11221141

CCCCCCSc1c[c]ccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
SOAT1 P35610 9/20 0.38
PTGS2 P35354 3/20 0.37
PLK1 P53350 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
G6PD P11413 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL11232325 1.00 THRA (0.38) THRATHRBSOAT1PTGS2PLK1
SCHEMBL7276198 0.98 SOAT1 (0.36) THRATHRBSOAT1PTGS2PLK1
SCHEMBL3015784 0.93 MAOA (0.40) SOAT1PTGS2MAOAMAOB
SCHEMBL2885071 0.85 ALDH1A1 (0.38) SOAT1PTGS2MAOAMAOB
SCHEMBL5376643 0.78 THRA (0.45) THRATHRBSOAT1PTGS2PLK1
SCHEMBL4742879 0.78 THRB (0.40) THRATHRBGPR84
SCHEMBL4747007 0.78 THRB (0.40) THRATHRBGPR84
SCHEMBL11223570 0.78 THRA (0.45) THRATHRBSOAT1PTGS2PLK1
SCHEMBL4802767 0.78 THRB (0.40) THRATHRBGPR84
SCHEMBL9243196 0.78 THRA (0.45) THRATHRBSOAT1PTGS2PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116783711-A Detection device 株式会社日本显示器 2023-09-19 CN disclosed
CN-116134620-A Detection device 株式会社日本显示器 2023-05-16 CN disclosed
US-4366236-A HYDROQUINONE DERIVATIVE LAYER AND A WATER INSOLUBLE POLYMER FUJI PHOTO FILM CO., LTD. (JP) 1982-12-28 US disclosed