SCHEMBL9252947

SCHEMBL9252947

CC(C)(C)C(=O)OCn1c(=O)ccc2cc(CBr)ccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALOX5 P09917 4/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ CCR9 P51686 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ THRB P10828 2/20 0.32
▸ NOD2 Q9HC29 1/20 0.31
▸ NOD1 Q9Y239 1/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ ADAM17 P78536 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ BTN3A1 O00481 1/20 0.31

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
SCHEMBL9249462 0.84 POLB (0.39) POLBGAANPSR1MAPTLMNA
SCHEMBL9124674 0.76 ALOX5 (0.42) POLBGAAALOX5MAPTLMNA
SCHEMBL17979340 0.73 BRPF1 (0.37) POLBALOX5MAPTLMNANAMPT
SCHEMBL1542329 0.73 NPC1 (0.40) POLBALOX5MAPTLMNAKMT2A
SCHEMBL10435190 0.73 KDM4E (0.40) POLBGAANPSR1KMT2ANOD2
SCHEMBL8490703 0.72 SMN1; SMN2 (0.43) POLBGAANPSR1MAPTLMNA
SCHEMBL9121051 0.71 SCN7A (0.36) POLBALOX5MAPTLMNANAMPT
SCHEMBL9555772 0.70 NPSR1 (0.39) POLBGAANPSR1MAPTLMNA
SCHEMBL4408021 0.70 BRPF1 (0.57) ALOX5
SCHEMBL28104161 0.69 GAA (0.41) POLBGAANPSR1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5401751-A Enzyme inhibitors for 5-lipoxygenase ZENECA LIMITED (GB) 1995-03-28 — — US disclosed
US-5236919-A Inhibitorsof enzyme 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 — — US disclosed
US-5134148-A Heterocycles for use as inhibitors of leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-28 — — US disclosed
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 — — EP disclosed
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