SCHEMBL15330852

SCHEMBL15330852

COC(=O)c1ccc(-c2ccc3[nH]cc(C=O)c3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.59
NR4A2 P43354 5/20 0.55
ALDH1A1 P00352 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
GPR84 Q9NQS5 1/20 0.46
SGK1 O00141 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
EGFR P00533 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43

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
SCHEMBL15330462 0.90 ERN1 (0.63) ERN1NR4A2ALDH1A1CYP1A2CYP2C19
SCHEMBL2161358 0.89 ALDH1A1 (0.60) ERN1NR4A2ALDH1A1CYP1A2CYP2C19
SCHEMBL2555126 0.83 ERN1 (0.55) ERN1NR4A2ALDH1A1CYP1A2CYP2C19
SCHEMBL1646920 0.83 KDM4E (0.49) ERN1NR4A2ALDH1A1CYP1A2CYP2C19
SCHEMBL1647790 0.82 ALDH1A1 (0.47) ERN1NR4A2ALDH1A1CYP1A2CYP2C19
SCHEMBL212820 0.81 PLG (0.61) ERN1NR4A2ALDH1A1CYP1A2CYP2C19
SCHEMBL15330072 0.79 ALDH1A1 (0.56) NR4A2ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL2531595 0.77 CYP2A6 (0.61) NR4A2ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL14211119 0.76 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C19KDM4EMAPT
SCHEMBL2535403 0.76 PIM1 (0.53) NR4A2ALDH1A1CYP1A2CYP2C19KDM4E

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 5 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