SCHEMBL11802813

SCHEMBL11802813

COc1ccc(COC(=O)C(N=Cc2ccccc2)P(=O)(OC)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 3/20 0.46
▸ ATM Q13315 1/20 0.44
▸ FABP7 O15540 1/20 0.41
▸ FABP5 Q01469 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ FAAH O00519 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ P2RX4 Q99571 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL11388720 0.90 MIF (0.43) MIFATMFABP7FABP5AURKA
SCHEMBL10459830 0.80 MIF (0.44) MIFALDH1A1KDM4EMEN1KMT2A
SCHEMBL8228438 0.75 MIF (0.52) MIFATMAURKAGAA
SCHEMBL11795802 0.72 ALDH1A1 (0.50) ATMALDH1A1RAB9ANPC1KMT2A
SCHEMBL11690153 0.71 LMNA (0.53) MIFATMFABP7FABP5ALDH1A1
SCHEMBL13186028 0.70 MIF (0.53) MIFATMFABP7FABP5AURKA
SCHEMBL27410647 0.70 LDHA (0.55) ATMFABP7FABP5ALDH1A1RAB9A
SCHEMBL29032094 0.70 MIF (0.67) MIFALDH1A1KMT2AL3MBTL1MAPK1
SCHEMBL7694064 0.69 ALDH1A1 (0.47) ATMFABP7FABP5ALDH1A1RAB9A
SCHEMBL11802715 0.69 ALDH1A1 (0.47) MIFATMFABP7FABP5ALDH1A1

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-3962224-A CHEMICAL INTERMEDIATES FOR ANTIBIOTICS MERCK & CO., INC. (US) 1976-06-08 — — US disclosed
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