SCHEMBL2558403

SCHEMBL2558403

CC=CCOc1ccc(C)cc1B(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.37
TUBB4A P04350 3/20 0.35
TUBB P07437 3/20 0.35
TUBA3C P0DPH7 3/20 0.35
TUBA1B P68363 3/20 0.35
TUBA4A P68366 3/20 0.35
TUBB4B P68371 3/20 0.35
TUBB3 Q13509 3/20 0.35
TUBB2A Q13885 3/20 0.35
TUBB8 Q3ZCM7 3/20 0.35
TUBA3E Q6PEY2 3/20 0.35
TUBA1A Q71U36 3/20 0.35
TUBA1C Q9BQE3 3/20 0.35
TUBB6 Q9BUF5 3/20 0.35
TUBB2B Q9BVA1 3/20 0.35
TUBB1 Q9H4B7 3/20 0.35
TSHR P16473 3/20 0.33
LIPE Q05469 1/20 0.33
ACHE P22303 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32

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
SCHEMBL2558400 1.00 AKR1C3 (0.37) AKR1C3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2558775 0.83 AKR1C3 (0.36) AKR1C3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2558777 0.83 AKR1C3 (0.36) AKR1C3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29951691 0.82 KDM4E (0.41) TSHRMEN1KMT2ANPC1HPGD
SCHEMBL29954348 0.81 MTNR1A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29954982 0.78 LIPE (0.54) AKR1C3TSHRLIPESMN1; SMN2MEN1
SCHEMBL29956763 0.78 MAPT (0.45) TSHRACHESMN1; SMN2MEN1KMT2A
SCHEMBL1490739 0.78 MAPT (0.45) TSHRACHESMN1; SMN2MEN1KMT2A
SCHEMBL20150592 0.77 MRGPRX4 (0.43) AKR1C3TUBB1ACHEMEN1KMT2A
SCHEMBL29952272 0.76 ENPP2 (0.36) AKR1C3TUBB4ATUBBTUBA3CTUBA1B

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