SCHEMBL20006868

SCHEMBL20006868

OC[C@@H](O)CCCc1cc(F)ccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.44
PTGER4 P35408 2/20 0.44
PTGER3 P43115 2/20 0.44
PTGER2 P43116 2/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
MGLL Q99685 1/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACLY P53396 1/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
SLC1A5 Q15758 1/20 0.39

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
SCHEMBL24316795 0.87 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL16797742 0.85 LMNA (0.45) PTGER1HTR1ADRD2LMNAL3MBTL1
SCHEMBL20179453 0.82 MGLL (0.52) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL18697557 0.82 ACLY (0.43) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL18894534 0.82 HTR1A (0.53) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL11943723 0.80 SLC6A2 (0.45) LMNA
SCHEMBL18255262 0.80 PPARG (0.42) HTR1AL3MBTL1MTNR1AMTNR1B
SCHEMBL6216285 0.79 ELANE (0.53) HTR1ADRD2LMNAL3MBTL1FFAR1
SCHEMBL24316909 0.78 PTGER1 (0.44) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL16797594 0.76 HTR1A (0.53) HTR1ADRD2LMNAL3MBTL1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3974419-A2 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2022-03-30 EP disclosed
EP-3299364-B1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO LTD (CN) 2021-10-20 EP disclosed
EP-3299364-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2018-03-28 EP disclosed