SCHEMBL2562277

SCHEMBL2562277

O=Cc1ccc(OC2(C(=O)O)CCSCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
PARP10 Q53GL7 1/20 0.37
PARP3 Q9Y6F1 1/20 0.37
ALDH1A1 P00352 9/20 0.37
CYP2A6 P11509 1/20 0.37
KDM4E B2RXH2 3/20 0.34
ALDH1A3 P47895 1/20 0.34
MAP4K4 O95819 1/20 0.34
STS P08842 1/20 0.33
ALDH5A1 P51649 1/20 0.32
ABAT P80404 1/20 0.32
MAPT P10636 1/20 0.32
DRD1 P21728 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2553808 0.93 KMT2A (0.37) KMT2APARP10PARP3ALDH1A1CYP2A6
SCHEMBL2563548 0.86 MAP4K4 (0.43) KMT2APARP10PARP3ALDH1A1CYP2A6
SCHEMBL2558259 0.84 MAP4K4 (0.43) KMT2APARP10PARP3ALDH1A1CYP2A6
SCHEMBL2562466 0.84 MAP4K4 (0.43) KMT2APARP10PARP3ALDH1A1CYP2A6
SCHEMBL2557088 0.84 MAP4K4 (0.37) KMT2APARP10PARP3ALDH1A1CYP2A6
SCHEMBL2558816 0.83 ALDH1A1 (0.46) KMT2APARP10PARP3ALDH1A1CYP2A6
SCHEMBL15332456 0.79 ALDH1A1 (0.39) KMT2APARP10PARP3ALDH1A1CYP2A6
SCHEMBL2558581 0.78 TTR (0.39) ALDH1A1ALDH1A3
SCHEMBL2555944 0.76 SRC (0.41) KMT2AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL2556812 0.74 MAPT (0.42) KMT2AALDH1A1STSMAPTLMNA

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