SCHEMBL20215731

SCHEMBL20215731

CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)COc5ccccc5)nc43)C(O)C2O[Si](C(C)C)(C(C)C)O1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ STING1 Q86WV6 4/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ IMPDH2 P12268 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HINT1 P49773 1/20 0.37

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
SCHEMBL19981039 1.00 TAS1R3 (0.46) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL15892164 1.00 TAS1R3 (0.46) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL15850632 1.00 TAS1R3 (0.46) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL9964276 0.91 TAS1R3 (0.43) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL12434623 0.86 ALDH1A1 (0.42) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL15060563 0.86 ALDH1A1 (0.42) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL25496217 0.86 KDM4E (0.47) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL19880310 0.86 KDM4E (0.47) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL1936920 0.86 KDM4E (0.47) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL19509409 0.86 KDM4E (0.47) TAS1R3TAS1R1ALDH1A1MEN1KMT2A

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-9988415-B2 Glycoside compound, method for producing thioether, ether, method for producing ether, method for producing glycoside compound, method for producing nucleic acid BONAC CORPORATION (JP) 2018-06-05 — — US disclosed
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