SCHEMBL18530366

SCHEMBL18530366

O=C(O)COCCCOCCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.49
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
TEAD3 Q99594 1/20 0.45
EPHX2 P34913 2/20 0.44
HTT P42858 1/20 0.44
CASP1 P29466 1/20 0.44
PAM P19021 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MAPK1 P28482 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
SCHEMBL16345758 1.00 NAAA (0.49) NAAATSHRSMN1; SMN2LMNATEAD3
SCHEMBL21421876 0.97 NAAA (0.49) NAAATSHRSMN1; SMN2LMNATEAD3
SCHEMBL5038180 0.96 TSHR (0.50) NAAATSHRSMN1; SMN2LMNATEAD3
SCHEMBL24675916 0.95 EPHX2 (0.49) NAAATSHRSMN1; SMN2LMNATEAD3
SCHEMBL17941306 0.95 L3MBTL1 (0.48) NAAATSHRSMN1; SMN2LMNATEAD3
SCHEMBL4963940 0.95 NAAA (0.53) NAAATSHRSMN1; SMN2LMNATEAD3
SCHEMBL4966266 0.95 NAAA (0.53) NAAATSHRSMN1; SMN2LMNATEAD3
SCHEMBL2469408 0.95 NAAA (0.53) NAAATSHRSMN1; SMN2LMNATEAD3
SCHEMBL3543002 0.95 NAAA (0.53) NAAATSHRSMN1; SMN2LMNATEAD3
SCHEMBL19698867 0.93 TSHR (0.50) NAAATSHRSMN1; SMN2LMNATEAD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3337476-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS Arvinas, Inc. (US) 2018-06-27 EP disclosed
WO-2017030814-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS Arvinas, Inc. (US) 2017-02-23 WO disclosed