SCHEMBL23395488

SCHEMBL23395488

C=C(C)C(=O)OC(C)(C)CC(C)Oc1ccc2cc(-c3ccc(CCCCC)cc3OC)oc2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.40
▸ S1PR1 P21453 3/20 0.40
▸ ALOX5 P09917 2/20 0.39
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ PTGES O14684 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ SRD5A1 P18405 1/20 0.32
▸ SRD5A2 P31213 1/20 0.32
▸ THRB P10828 1/20 0.32

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
SCHEMBL23395485 0.92 S1PR1 (0.34) PTPN1S1PR1ALOX5PTGESS1PR3
SCHEMBL23395486 0.89 S1PR1 (0.34) S1PR1ALOX5PPARAPTGESS1PR3
SCHEMBL23893440 0.88 PTPN1 (0.42) PTPN1S1PR1ALOX5PPARGPPARA
SCHEMBL23395492 0.86 ALOX5 (0.38) PTPN1S1PR1ALOX5PPARGPPARA
SCHEMBL23395600 0.85 ALOX5 (0.38) PTPN1ALOX5PPARAPTGES
SCHEMBL23395533 0.83 PPARG (0.36) PPARGPPARATHRB
SCHEMBL25896330 0.83 ALOX5 (0.33) S1PR1ALOX5S1PR3MAOAMAOB
SCHEMBL26291483 0.82 S1PR1 (0.48) PTPN1S1PR1ALOX5PPARGPPARA
SCHEMBL23395491 0.81 ALOX5 (0.39) S1PR1ALOX5PTGESS1PR3
SCHEMBL25896594 0.81 SLC10A1 (0.33) S1PR1S1PR3MAOAMAOB

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 2 patents. 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
EP-3583092-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-05-26 — — EP disclosed
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