SCHEMBL7447672

SCHEMBL7447672

[O]C1(O)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.45
▸ BCHE P06276 2/20 0.43
▸ ACHE P22303 2/20 0.43
▸ PDPK1 O15530 2/20 0.41
▸ MTOR P42345 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ TACR2 P21452 3/20 0.41
▸ PTPN1 P18031 7/20 0.40
▸ CDC25B P30305 6/20 0.40
▸ PTPN2 P17706 3/20 0.39
▸ PTPN11 Q06124 3/20 0.39
▸ PTPN6 P29350 2/20 0.39
▸ GJB2 P29033 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
SCHEMBL7440204 0.96 NT5E (0.47) NT5EBCHEACHEPDPK1MTOR
SCHEMBL9386370 0.86 BCHE (0.45) NT5EBCHEACHEPDPK1MTOR
SCHEMBL8596282 0.86 BCHE (0.45) NT5EBCHEACHEPDPK1MTOR
SCHEMBL10408818 0.86 BCHE (0.41) NT5EBCHEACHEPDPK1MTOR
SCHEMBL10408817 0.86 BCHE (0.41) NT5EBCHEACHEPDPK1MTOR
SCHEMBL10408132 0.84 NT5E (0.43) NT5EBCHEACHEPDPK1MTOR
SCHEMBL4244893 0.84 BCHE (0.40) NT5EBCHEACHEPDPK1MTOR
SCHEMBL4244898 0.84 BCHE (0.40) NT5EBCHEACHEPDPK1MTOR
SCHEMBL11673910 0.84 NT5E (0.43) NT5EBCHEACHEPDPK1MTOR
SCHEMBL11673905 0.84 NT5E (0.43) NT5EBCHEACHEPDPK1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166212-A Hypotensive agents, analgesics CIBA-GEIGY CORPORATION (US) 1992-11-24 — — US disclosed
US-5096925-A N-substituted butyramide derivatives CIBA-GEIGY CORPORATION (US) 1992-03-17 — — US disclosed
US-5021430-A Enkephalinase inhibitors, analgesics, hypotensives CIBA-GEIGY CORPORATION (US) 1991-06-04 — — US disclosed
US-4939261-A ANALGESICS, ANTIDEPRESSANTS, HYPOTENSIVE AGENTS, NEUROLEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1990-07-03 — — US disclosed
EP-0185079-B1 N-SUBSTITUTED BUTYRAMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1988-10-19 — — EP disclosed
EP-0225292-A2 Certain N-substituted butyramide derivatives CIBA-GEIGY AG (CH) 1987-06-10 — — EP disclosed
EP-0185079-A1 — CIBA GEIGY AG 1986-06-25 — — EP disclosed
WO-1986000066-A1 N-SUBSTITUTED BUTYRAMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1986-01-03 — — WO disclosed
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