SCHEMBL27316656

SCHEMBL27316656

COc1ccc(C(C)C)cc1-c1nccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 8/20 0.51
SMPD3 Q9NY59 1/20 0.47
ECE1 P42892 1/20 0.43
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.39
KCNB1 Q14721 1/20 0.39
USP7 Q93009 2/20 0.38
FYN P06241 1/20 0.38
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 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
SCHEMBL14951107 0.80 SMPD3 (0.50) CTSASMPD3ECE1ALDH1A1SMN1; SMN2
SCHEMBL30441936 0.80 SMPD3 (0.50) CTSASMPD3ECE1ALDH1A1SMN1; SMN2
SCHEMBL12263197 0.79 ADORA3 (0.38) CTSASMPD3
SCHEMBL28120090 0.79 KCNMA1 (0.53) CTSASMPD3ECE1ALDH1A1SMN1; SMN2
SCHEMBL24731506 0.79 SMPD3 (0.49) CTSASMPD3ECE1ALDH1A1SMN1; SMN2
SCHEMBL13380079 0.77 LMNA (0.46) CTSASMPD3HPGDFYN
SCHEMBL8940819 0.77 HDAC4 (0.50) ALDH1A1SMN1; SMN2HPGDPOLBUSP7
SCHEMBL5991950 0.77 SMPD3 (0.47) CTSASMPD3ECE1ALDH1A1SMN1; SMN2
SCHEMBL12263198 0.76 F2RL1 (0.40) CTSAHPGD
SCHEMBL3919272 0.75 CASR (0.48) CTSASMPD3ALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024057020-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2024-03-21 WO disclosed