SCHEMBL24802253

SCHEMBL24802253

C[C@@H](Cc1ccc(B(O)O)cc1OCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.56
PTGER4 P35408 3/20 0.56
PTGER3 P43115 3/20 0.56
PTGER2 P43116 3/20 0.56
LIPE Q05469 1/20 0.46
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
KDM4E B2RXH2 1/20 0.40
APAF1 O14727 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ENPP2 Q13822 1/20 0.40
FFAR1 O14842 1/20 0.40
SMPD1 P17405 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL29346256 0.76 LIPE (0.44) LIPEKDM4EPOLBMAPTRECQL
SCHEMBL27230222 0.76 LIPE (0.44) LIPEKDM4EPOLBMAPTRECQL
SCHEMBL27207984 0.76 LIPE (0.44) LIPEKDM4EPOLBMAPTRECQL
SCHEMBL16320521 0.75 LIPE (0.57) LIPEKDM4EPOLBMAPTL3MBTL1
SCHEMBL29958132 0.74 LIPE (0.57) LIPEMAPTL3MBTL1ENPP2FFAR1
SCHEMBL20371015 0.74 LIPE (0.57) LIPEMAPTL3MBTL1ENPP2FFAR1
SCHEMBL12083566 0.74 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2KDM4E
SCHEMBL29956215 0.73 NPC1 (0.57) LIPEKDM4EENPP2
SCHEMBL24803085 0.73 TTR (0.40) MMEACEKDM4EAPAF1POLB
SCHEMBL4329673 0.73 SMPD1 (0.56) LIPEKDM4EENPP2SMPD1HDAC1

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-2022270143-A1 BORONO-PHENYLALANINE DERIVATIVE ステラファーマ株式会社 2022-12-29 WO disclosed