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SCHEMBL11029029

SCHEMBL11029029

C[C@@H]1[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@]2(CO2)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@H](C)[C@H]1O[C@H]1C[C@H](O)[C@@H](O)[C@H](C)O1

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 12/20 0.85
▸ LMNA P02545 3/20 0.85
▸ ABCB1 P08183 3/20 0.63
▸ USP2 O75604 2/20 0.63
▸ MLNR O43193 4/20 0.44
▸ KCNH2 Q12809 5/20 0.44
▸ AR P10275 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SLCO1B3 Q9NPD5 1/20 0.44
▸ SLCO1B1 Q9Y6L6 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALB P02768 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ AOX1 Q06278 1/20 0.43
▸ CYP1B1 Q16678 1/20 0.43

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
Oleandomycin SCHEMBL3716 0.92 CYP3A4 (1.00) CYP3A4LMNAABCB1USP2MLNR
Oleandomycin SCHEMBL10028439 0.92 CYP3A4 (1.00) CYP3A4LMNAABCB1USP2MLNR
Oleandomycin SCHEMBL3717 0.92 CYP3A4 (1.00) CYP3A4LMNAABCB1USP2MLNR
Oleandomycin SCHEMBL29684259 0.92 CYP3A4 (1.00) CYP3A4LMNAABCB1USP2MLNR
Oleandomycin SCHEMBL9807053 0.91 CYP3A4 (0.99) CYP3A4LMNAABCB1USP2MLNR
Oleandomycin SCHEMBL950913 0.90 CYP3A4 (0.96) CYP3A4LMNAABCB1USP2MLNR
Oleandomycin SCHEMBL285338 0.89 CYP3A4 (1.00) CYP3A4LMNAABCB1USP2MLNR
Oleandomycin SCHEMBL5033021 0.89 CYP3A4 (1.00) CYP3A4LMNAABCB1USP2MLNR
SCHEMBL14556379 0.86 CYP3A4 (0.72) CYP3A4LMNAABCB1USP2MLNR
Diproleandomycin SCHEMBL2109038 0.82 CYP3A4 (0.78) CYP3A4LMNAABCB1USP2MLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0055907-B1 CIS-C3\",C4\"-CARBONATE DERIVATIVES OF OLEANDOMYCIN-Y, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND INTERMEDIATES THEREFOR PFIZER INC. (US) 1985-04-10 — — EP disclosed
EP-0055907-B1 CIS-C3\",C4\"-CARBONATE DERIVATIVES OF OLEANDOMYCIN-Y, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND INTERMEDIATES THEREFOR PFIZER INC. (US) 1985-04-10 — — EP disclosed
EP-0055907-A2 Cis-C3\",C4\"-carbonate derivatives of oleandomycin-Y, pharmaceutical compositions containing them, and intermediates therefor PFIZER INC. (US) 1982-07-14 — — EP disclosed
EP-0055907-A2 Cis-C3\",C4\"-carbonate derivatives of oleandomycin-Y, pharmaceutical compositions containing them, and intermediates therefor PFIZER INC. (US) 1982-07-14 — — EP disclosed
US-4316010-A BACTERICIDES PFIZER INC. (US) 1982-02-16 — — US disclosed