SCHEMBL2556901

SCHEMBL2556901

O=Cc1ccc(OCc2occc2C(=O)O)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
MRGPRX4 Q96LA9 14/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL2561272 0.81 POLB (0.48) TP53MRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL15332552 0.79 TP53 (0.70) TP53NPC1RAB9ASMN1; SMN2POLB
SCHEMBL2554402 0.78 TP53 (0.56) TP53NPC1RAB9APOLB
SCHEMBL2562273 0.76 MRGPRX4 (0.45) TP53MRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL2559624 0.74 NPC1 (0.73) TP53MRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL18209464 0.73 TDP1 (0.66) SMN1; SMN2POLB
SCHEMBL1050683 0.72 SMN1; SMN2 (0.68) TP53MRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL2556003 0.71 RAB9A (0.49) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL7564490 0.71 RAB9A (0.56) TP53NPC1RAB9ASMN1; SMN2CYP2C9
SCHEMBL2554389 0.70 RAB9A (0.51) NPC1RAB9ACYP2C9NPSR1HPGD

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