SCHEMBL21733026

SCHEMBL21733026

O=C[C@@H]1C2C=CC(O2)[C@@H]1C(=O)NCCOCCO

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FPR3 P25089 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TLR2 O60603 1/20 0.30
▸ TLR1 Q15399 1/20 0.30

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
SCHEMBL21441726 0.84 FPR2 (0.37) FPR3FPR2ALDH1A1POLBL3MBTL1
SCHEMBL21133701 0.78 ALDH1A1 (0.33) ALDH1A1POLBL3MBTL1KDM4ELMNA
SCHEMBL19263785 0.77 ALDH1A1 (0.31) ALDH1A1POLBL3MBTL1
SCHEMBL21133449 0.77 — —
SCHEMBL21733114 0.75 — —
SCHEMBL21733027 0.73 FPR3 (0.34) FPR3FPR2
SCHEMBL22041026 0.73 — —
SCHEMBL21133516 0.73 KDM4E (0.30) ALDH1A1KDM4EGAAMAPT
SCHEMBL21732965 0.68 ALDH1A1 (0.39) FPR3FPR2ALDH1A1POLBL3MBTL1
SCHEMBL13852640 0.66 MEN1 (0.38) ALDH1A1

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-3254678-B1 MULTIFUNCTIONAL ZWITTERIONIC POLYMER CONJUGATES KODIAK SCIENCES INC (US) 2020-02-19 — — EP disclosed
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