SCHEMBL27411490

SCHEMBL27411490

COc1cc(C2SCC(=O)N2C(C)Br)cc(OC)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR7 P34969 8/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 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
SCHEMBL27409991 0.88 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27461427 0.83 HTR7 (0.37) HTR7
SCHEMBL27414229 0.80
SCHEMBL8632507 0.76 SMN1; SMN2 (0.59) GAASMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL27410712 0.74 GFER (0.48) GAASMN1; SMN2HTR7L3MBTL1ATM
SCHEMBL27394357 0.68 SMN1; SMN2 (0.52) GAASMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL10676083 0.64 GFER (0.69) GAASMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL8632685 0.64 SMN1; SMN2 (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8633554 0.63 SMN1; SMN2 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8581281 0.59 KMT2A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
CN-1091741-A Tartronic acid and acetal ether thereof and O-ester DOMPE FARMACEUTICI SPA (IT) 1994-09-07 CN disclosed