SCHEMBL2554875

SCHEMBL2554875

COc1ccc(-c2ccc(C=O)s2)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 5/20 0.47
POLB P06746 5/20 0.47
AKR1C3 P42330 4/20 0.41
AKR1C2 P52895 4/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GLA P06280 1/20 0.40
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL2562840 0.82 CSNK2A1 (0.44) KDM4EPOLBCYP2C9CYP2C19NOTUM
SCHEMBL14730324 0.80 ALDH1A1 (0.50) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL2561442 0.79 KEAP1 (0.42) KDM4ECYP2C9CYP2C19CA1ALDH1A1
SCHEMBL15329856 0.78 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL29853676 0.77 SMN1; SMN2 (0.79) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL7267474 0.77 SMN1; SMN2 (0.79) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL2555723 0.76 ERN1 (0.39) SMN1; SMN2KDM4EPOLBCYP2C9CYP2C19
SCHEMBL2559712 0.76 CA12 (0.50) CA1CA9ALDH1A1LMNAHPGD
SCHEMBL2558619 0.75 KDM4E (0.46) KDM4EPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL2557271 0.73 SMN1; SMN2 (0.77) SMN1; SMN2KDM4EPOLBCYP1A2CYP2D6

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