SCHEMBL23845219

SCHEMBL23845219

NC(=O)CCCCCc1cccc(OCC(N)CCC(N)=O)c1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 4/20 0.39
▸ LTB4R Q15722 3/20 0.38
▸ LTB4R2 Q9NPC1 2/20 0.38
▸ ADRB2 P07550 8/20 0.37
▸ ADRB1 P08588 8/20 0.37
▸ SLC6A4 P31645 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ TBXAS1 P24557 1/20 0.34
▸ S1PR4 O95977 2/20 0.34
▸ S1PR1 P21453 2/20 0.34
▸ S1PR5 Q9H228 2/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ S1PR2 O95136 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34

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
SCHEMBL22527061 0.99 MPO (0.40) MPOLTB4RLTB4R2ADRB2ADRB1
SCHEMBL22526193 0.87 ADRB2 (0.41) MPOADRB2ADRB1SLC6A4HDAC1
SCHEMBL22527024 0.84 LTB4R (0.36) MPOLTB4RLTB4R2ADRB2ADRB1
SCHEMBL26206467 0.83 LTB4R (0.46) LTB4RLTB4R2ADRB2ADRB1
SCHEMBL26254335 0.82 MPO (0.38) MPOLTB4RLTB4R2ADRB2ADRB1
SCHEMBL26254223 0.82 ADRB2 (0.38) MPOLTB4RLTB4R2ADRB2ADRB1
SCHEMBL26206421 0.82 LTB4R (0.44) MPOLTB4RLTB4R2ADRB2ADRB1
SCHEMBL27015403 0.82 ADRB2 (0.39) MPOLTB4RLTB4R2ADRB2ADRB1
SCHEMBL22527096 0.81 MPO (0.36) MPOLTB4RLTB4R2SLC6A4S1PR4
SCHEMBL22527020 0.81 MTNR1A (0.38) MPOADRB2ADRB1SLC6A4MTNR1A

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
WO-2021188696-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-09-23 — — WO disclosed
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