SCHEMBL2559441

SCHEMBL2559441

CCNC(=O)CCOc1ccc(C=O)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.63
TSHR P16473 3/20 0.63
ALDH1A1 P00352 6/20 0.55
MAPK1 P28482 3/20 0.45
TP53 P04637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 5/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 2/20 0.44
FDPS P14324 1/20 0.43
NLRP1 Q9C000 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2556836 0.87 ALDH1A1 (0.72) HPGDTSHRALDH1A1MAPK1TP53
SCHEMBL2560258 0.87 ALDH1A1 (0.53) HPGDTSHRALDH1A1MAPK1TP53
SCHEMBL2553586 0.85 ALDH1A1 (0.62) HPGDTSHRALDH1A1L3MBTL1MAPT
SCHEMBL29951649 0.85 ALDH1A1 (0.77) HPGDTSHRALDH1A1L3MBTL1MAPT
SCHEMBL29954267 0.85 ALDH1A1 (0.69) HPGDTSHRALDH1A1MAPTCYP1A2
SCHEMBL2562156 0.84 HPGD (0.64) HPGDTSHRALDH1A1MAPK1MAPT
SCHEMBL2557447 0.81 NPC1 (0.46) HPGDALDH1A1MAPK1MAPTCYP1A2
SCHEMBL2556003 0.81 RAB9A (0.49) HPGDTSHRALDH1A1MAPK1MAPT
SCHEMBL29954289 0.81 ALDH1A1 (0.51) HPGDTSHRALDH1A1MAPTCYP1A2
SCHEMBL15331648 0.81 TSHR (0.64) HPGDTSHRALDH1A1MAPK1TP53

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