SCHEMBL29973090

SCHEMBL29973090

CCCCOc1ccc(-c2noc(CC(C(=O)OC(C)(C)C)P(=O)(OCC)OCC)n2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.38
▸ S1PR1 P21453 3/20 0.38
▸ S1PR4 O95977 2/20 0.38
▸ S1PR3 Q99500 2/20 0.38
▸ S1PR5 Q9H228 2/20 0.38
▸ MAPT P10636 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PSMB5 P28074 1/20 0.34
▸ ACACB O00763 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
SCHEMBL23578484 1.00 MAPK1 (0.38) MAPK1S1PR1S1PR4S1PR3S1PR5
SCHEMBL23588079 0.87 ACACB (0.46) S1PR1S1PR3MAPTTP53MITF
SCHEMBL27291365 0.86 LTA4H (0.36) MAPTTP53HTTMITFNCOA3
SCHEMBL25804667 0.82 SPHK1 (0.43) S1PR1S1PR4S1PR3S1PR5MAPT
SCHEMBL23588293 0.82 HTT (0.40) MAPK1MAPTTP53HTTMITF
SCHEMBL23578218 0.81 SPHK1 (0.47) S1PR1S1PR3S1PR5FFAR1
SCHEMBL23588345 0.81 RAB9A (0.38) MAPTTP53HDAC4HDAC1HDAC6
SCHEMBL25804839 0.81 SPHK2 (0.39) MAPK1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL31707538 0.81 HCAR2 (0.35) MAPTTP53MITFNCOA3ALDH1A1
SCHEMBL23588294 0.80 TP53 (0.39) MAPK1MAPTTP53HTTMITF

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-4081511-B3 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LTD (GB) 2026-03-04 — — EP disclosed
EP-4081511-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2022-11-02 — — EP disclosed
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