SCHEMBL28906747

SCHEMBL28906747

C=Cc1cccc2c(N(OCc3ccc(OC)cc3OC)S(=O)(=O)c3cc(CC)ccc3OC)noc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KAT7 O95251 4/20 0.32
▸ KAT6A Q92794 4/20 0.32
▸ KAT6B Q8WYB5 3/20 0.32
▸ KAT5 Q92993 2/20 0.32
▸ KAT8 Q9H7Z6 2/20 0.32
▸ ALPL P05186 1/20 0.32
▸ MAPT P10636 4/20 0.32
▸ POLB P06746 1/20 0.31
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TUBA1B P68363 1/20 0.31
▸ TUBA4A P68366 1/20 0.31
▸ TUBB4B P68371 1/20 0.31
▸ TUBB3 Q13509 1/20 0.31
▸ TUBB2A Q13885 1/20 0.31
▸ TUBB8 Q3ZCM7 1/20 0.31

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
SCHEMBL29652522 1.00 ALDH1A1 (0.32) ALDH1A1TSHRKMT2AKAT7KAT6A
SCHEMBL21596809 0.88 MAPT (0.36) ALDH1A1TSHRKMT2AKAT7KAT6A
SCHEMBL29652454 0.88 MAPT (0.36) ALDH1A1TSHRKMT2AKAT7KAT6A
SCHEMBL31605552 0.86 MAPT (0.38) ALDH1A1TSHRKMT2AKAT7KAT6A
SCHEMBL21596821 0.86 MAPT (0.38) ALDH1A1TSHRKMT2AKAT7KAT6A
SCHEMBL28507830 0.86 KAT7 (0.33) ALDH1A1TSHRKMT2AKAT7KAT6A
SCHEMBL29652540 0.86 KAT7 (0.33) ALDH1A1TSHRKMT2AKAT7KAT6A
SCHEMBL21596872 0.84 GALR3 (0.38) ALDH1A1TSHRKMT2AMAPTSMN1; SMN2
SCHEMBL29652519 0.84 GALR3 (0.38) ALDH1A1TSHRKMT2AMAPTSMN1; SMN2
SCHEMBL29652513 0.84 CCNA2 (0.36) KAT7KAT6AKAT6BKAT5KAT8

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-112334466-A Compound (I) CTXT私人有限公司 2021-02-05 — — CN disclosed
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