SCHEMBL2558207

SCHEMBL2558207

NC(CC(=O)O)c1ccccc1B(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
CPA1 P15085 2/20 0.36
CPB1 P15086 1/20 0.36
CPA3 P15088 1/20 0.36
CPB2 Q96IY4 1/20 0.36
SCN4A P35499 2/20 0.36
CTSA P10619 2/20 0.35
FFAR1 O14842 1/20 0.35
CTRB1 P17538 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
ALPI P09923 1/20 0.34
PKM P14618 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
SCHEMBL2320843 0.80 CTSA (0.47) GABBR2GABBR1CTSA
SCHEMBL2320833 0.80 CTSA (0.47) GABBR2GABBR1CTSA
SCHEMBL5720952 0.80 CTSA (0.47) GABBR2GABBR1CTSA
Hydrochloric Acid SCHEMBL14108447 0.79 CTSA (0.46) CTSA
Hydrochloric Acid SCHEMBL14108446 0.79 CTSA (0.46) CTSA
SCHEMBL31757740 0.77 AKR1B1 (0.44) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19
SCHEMBL5918770 0.77 AKR1B1 (0.44) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19
SCHEMBL5597477 0.77 AKR1B1 (0.44) GABBR2GABBR1KMT2ASMN1; SMN2CYP2C19
SCHEMBL31364568 0.76 POLB (0.55) KMT2ASMN1; SMN2CTSAHTT
SCHEMBL3385975 0.76 POLB (0.55) KMT2ASMN1; SMN2CTSAHTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed