SCHEMBL2554470

SCHEMBL2554470

COCCNC(=O)COc1ccc(C=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
HPGD P15428 3/20 0.63
ALDH1A1 P00352 3/20 0.56
CYP2D6 P10635 2/20 0.56
CYP3A4 P08684 2/20 0.56
TSHR P16473 1/20 0.52
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL2557379 0.92 ALDH1A1 (0.59) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL2555132 0.85 ALDH1A1 (0.59) CYP1A2ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL2560146 0.84 HPGD (0.61) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL6538501 0.83 TSHR (0.61) CYP1A2ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL10090174 0.82 CYP1A2 (0.70) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL9868600 0.82 CYP1A2 (0.89) CYP1A2CYP2C9CYP2C19HPGDCYP2D6
SCHEMBL6538870 0.82 RAB9A (0.63) CYP1A2HPGDALDH1A1CYP2D6CYP3A4
SCHEMBL2557113 0.82 ALDH1A1 (0.66) CYP1A2HPGDALDH1A1CYP2D6CYP3A4
SCHEMBL2559464 0.82 TSHR (0.60) CYP1A2HPGDALDH1A1CYP2D6CYP3A4
SCHEMBL17967822 0.82 CASP2 (0.58) CYP1A2CYP2C19ALDH1A1CYP2D6CYP3A4

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