SCHEMBL21133701

SCHEMBL21133701

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL21441594 0.94 KDM4E (0.30) ALDH1A1KDM4EGAAMAPT
SCHEMBL21133516 0.94 KDM4E (0.30) ALDH1A1KDM4EGAAMAPT
SCHEMBL21441750 0.91 — —
SCHEMBL19263677 0.88 — —
SCHEMBL21133449 0.88 — —
SCHEMBL21733114 0.85 — —
SCHEMBL21733107 0.83 — —
SCHEMBL21441726 0.82 FPR2 (0.37) ALDH1A1KDM4EGAAMAPTPOLB
SCHEMBL21133459 0.79 — —
SCHEMBL15431760 0.78 ALDH1A1 (0.34) ALDH1A1KDM4EGAAMAPTPOLB

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-3254678-B1 MULTIFUNCTIONAL ZWITTERIONIC POLYMER CONJUGATES KODIAK SCIENCES INC (US) 2020-02-19 — — EP disclosed
EP-2558538-B1 HIGH MOLECULAR WEIGHT ZWITTERION-CONTAINING POLYMERS KODIAK SCIENCES INC (US) 2019-07-03 — — EP disclosed
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