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SCHEMBL7625544

SCHEMBL7625544

O=S(=O)(O)OC[C@H]1O[C@@H]2O[C@H]3[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]4[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]5[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]6[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]7[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]7COS(=O)(=O)O)O[C@@H]6COS(=O)(=O)O)O[C@@H]5COS(=O)(=O)O)O[C@@H]4COS(=O)(=O)O)O[C@@H]3COS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ FGF1 P05230 2/20 0.38
▸ FGF2 P09038 2/20 0.38
▸ TXNRD1 Q16881 1/20 0.35
▸ TXNRD3 Q86VQ6 1/20 0.35
▸ TXNRD2 Q9NNW7 1/20 0.35
▸ F10 P00742 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL7628032 1.00 FYN (0.40) FYNMAOASLC6A2HTR2CHTR2B
SCHEMBL8265 0.95 ALDH1A1 (0.50) FYNMAOASLC6A2HTR2CHTR2B
SCHEMBL9099489 0.93 ALDH1A1 (0.48) FYNMAOASLC6A2HTR2CHTR2B
SCHEMBL7618650 0.92 FYN (0.39) FYNMAOASLC6A2HTR2CHTR2B
SCHEMBL29351784 0.91 FGF1 (0.42) FGF1FGF2F10CA2CA1
SCHEMBL29349893 0.91 FGF1 (0.42) FGF1FGF2F10CA2CA1
SCHEMBL29369521 0.91 FGF1 (0.42) FGF1FGF2F10CA2CA1
SCHEMBL19203208 0.88 ALDH1A1 (0.50) FYNMAOASLC6A2HTR2CHTR2B
SCHEMBL19203343 0.88 ALDH1A1 (0.50) FYNMAOASLC6A2HTR2CHTR2B
SCHEMBL7623530 0.88 ALDH1A1 (0.50) FYNMAOASLC6A2HTR2CHTR2B

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
US-6440691-B1 AIDS VIRICIDES LARGE SCALE BIOLOGY CORPORATION 2002-08-27 — — US disclosed