SCHEMBL25896330

SCHEMBL25896330

C=C(C)C(=O)OC(C)(C)CC(C)Oc1ccc2cc(-c3ccc(CCCCC)o3)oc2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ NDUFS8 O00217 3/20 0.33
▸ COXFA4 O00483 3/20 0.33
▸ NDUFAB1 O14561 3/20 0.33
▸ NDUFA1 O15239 3/20 0.33
▸ NDUFS4 O43181 3/20 0.33
▸ NDUFB5 O43674 3/20 0.33
▸ NDUFB3 O43676 3/20 0.33
▸ NDUFC1 O43677 3/20 0.33
▸ NDUFA2 O43678 3/20 0.33
▸ NDUFS5 O43920 3/20 0.33
▸ NDUFS7 O75251 3/20 0.33
▸ NDUFS2 O75306 3/20 0.33
▸ NDUFS6 O75380 3/20 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
SCHEMBL25896396 0.86 S1PR1 (0.37) S1PR1S1PR3MAOAMAOBNDUFS8
SCHEMBL23395494 0.84 ALOX5 (0.33) ALOX5PTGS1PTGS2S1PR1S1PR3
SCHEMBL25896594 0.83 SLC10A1 (0.33) S1PR1S1PR3MAOAMAOBNDUFS8
SCHEMBL23395488 0.83 PTPN1 (0.40) ALOX5S1PR1S1PR3MAOAMAOB
SCHEMBL25896450 0.82 FPR1 (0.30) S1PR1S1PR3
SCHEMBL23395486 0.82 S1PR1 (0.34) ALOX5S1PR1S1PR3
SCHEMBL23893404 0.82 MAPT (0.41) PTGS2
SCHEMBL23395485 0.81 S1PR1 (0.34) ALOX5S1PR1S1PR3
SCHEMBL25896514 0.81 FPR1 (0.31) —
SCHEMBL25896219 0.80 MAOA (0.37) ALOX5S1PR1S1PR3MAOAMAOB

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
EP-3889135-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-08-02 — — EP disclosed
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