SCHEMBL30760221

SCHEMBL30760221

C=C(C)C(=O)NCCCC[N+](C)(C)CCS(=O)(=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.39
EPHX2 P34913 1/20 0.35
POLB P06746 2/20 0.34
GRK2 P25098 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CBLB Q13191 4/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
ATM Q13315 1/20 0.30
APAF1 O14727 1/20 0.30
DNMT1 P26358 1/20 0.30
PTPN7 P35236 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
PPP1CA P62136 1/20 0.30
CTDSP1 Q9GZU7 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
SCHEMBL20511719 0.96 BBOX1 (0.40) BBOX1EPHX2POLBGRK2KMT2A
SCHEMBL16799339 0.94 BBOX1 (0.46) BBOX1EPHX2POLBGRK2KMT2A
SCHEMBL16799236 0.93 BBOX1 (0.45) BBOX1EPHX2POLBGRK2KMT2A
SCHEMBL18151769 0.93 BBOX1 (0.45) BBOX1EPHX2POLBGRK2KMT2A
SCHEMBL16799497 0.93 BBOX1 (0.45) BBOX1EPHX2POLBGRK2KMT2A
SCHEMBL16799259 0.93 BBOX1 (0.45) BBOX1EPHX2POLBGRK2KMT2A
SCHEMBL16799294 0.93 BBOX1 (0.45) BBOX1EPHX2POLBGRK2KMT2A
SCHEMBL18151520 0.93 BBOX1 (0.45) BBOX1EPHX2POLBGRK2KMT2A
SCHEMBL717860 0.91 BBOX1 (0.42) BBOX1EPHX2POLBGRK2KMT2A
SCHEMBL16799559 0.90 BBOX1 (0.41) BBOX1EPHX2POLBGRK2KMT2A

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-2024040035-A2 MULTIFUNCTIONAL CREAM HYDROGELS FOR POSTOPERATIVE ADHESION PREVENTION BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2024-02-22 WO disclosed