SCHEMBL9878023

SCHEMBL9878023

O=c1n(O)ccn1Cc1cccc(Oc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ P2RX3 P56373 6/20 0.35
▸ F2 P00734 3/20 0.35
▸ F10 P00742 3/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ ST14 Q9Y5Y6 1/20 0.35
▸ HSD17B14 Q9BPX1 1/20 0.34
▸ PPARG P37231 1/20 0.33

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
SCHEMBL10466019 0.91 FAAH (0.40) —
SCHEMBL9877285 0.75 KDM4E (0.47) —
SCHEMBL2893839 0.71 F2 (0.46) P2RX3F2F10PRSS1PRSS2
SCHEMBL11175776 0.71 KCNH2 (0.44) F2F10PRSS1PRSS2PRSS3
SCHEMBL10077158 0.69 KDM4E (0.47) F2
SCHEMBL10841713 0.68 F2 (0.44) F2F10PRSS1PRSS2PRSS3
SCHEMBL2521152 0.68 LTA4H (0.58) F2F10PRSS1PRSS2PRSS3
SCHEMBL10871695 0.68 FFAR1 (0.53) F2F10PRSS1PRSS2PRSS3
Acetic Acid SCHEMBL11368795 0.68 P2RX3 (0.41) P2RX3F2F10PRSS1PRSS2
SCHEMBL9714305 0.68 KCNH2 (0.44) F2F10PRSS1PRSS2PRSS3

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
US-5036157-A Hydroxamic acid derivatives, lipoxygenase and cyclooxygenase inhibitors, anticoagulants, antiinflammatory agents BURROUGHS WELLCOME CO. 1991-07-30 — — US disclosed
US-4977188-A Hydroamic acid derivatives BURROUGHS WELLCOME CO. (US) 1990-12-11 — — US disclosed
WO-1990001929-A1 NEW MEDICAL USE THE WELLCOME FOUNDATION LIMITED (GB) 1990-03-08 — — WO disclosed
US-4738986-A CYCLOOXYGENASE, LIDOXYGENASE INHIBITORS BURROUGHS WELLCOME CO. (US) 1988-04-19 — — US disclosed
EP-0196184-A2 Aryl derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1986-10-01 — — EP disclosed
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