SCHEMBL2558238

SCHEMBL2558238

Cc1ccc(C)c(OCc2ccc(B(O)O)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
LPL P06858 2/20 0.46
LIPG Q9Y5X9 2/20 0.46
CA2 P00918 1/20 0.46
TSHR P16473 2/20 0.45
ENPP2 Q13822 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
HPGD P15428 1/20 0.43
CYP2C9 P11712 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
LIPE Q05469 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
TTR P02766 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C8 P10632 1/20 0.40

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
SCHEMBL2561404 0.88 MRGPRX4 (0.51) ALDH1A1LPLLIPGCA2ENPP2
SCHEMBL9946053 0.86 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2FFAR1FFAR4
SCHEMBL2554884 0.85 ENPP2 (0.59) ALDH1A1LPLLIPGCA2ENPP2
SCHEMBL2560524 0.85 ENPP2 (0.52) ALDH1A1LPLLIPGCA2ENPP2
SCHEMBL2562696 0.84 ENPP2 (0.50) ALDH1A1LPLLIPGTSHRENPP2
SCHEMBL29953077 0.82 LMNA (0.55) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL16210297 0.82 MRGPRX4 (0.53) ALDH1A1LPLLIPGCA2ENPP2
SCHEMBL20371015 0.81 LIPE (0.57) ENPP2SMN1; SMN2FFAR1FFAR4HTT
SCHEMBL29958132 0.81 LIPE (0.57) ENPP2SMN1; SMN2FFAR1FFAR4HTT
SCHEMBL3149374 0.79 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2FFAR1FFAR4

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