SCHEMBL19174152

SCHEMBL19174152

OCCCCCc1cc(F)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.42
ACHE P22303 2/20 0.41
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX5 P09917 1/20 0.40
MAPT P10636 1/20 0.40
TYR P14679 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL15177138 0.84 ALOX5 (0.59) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL19173944 0.84 ALOX15 (0.39) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL1270868 0.81 ALOX5 (0.56) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL9453919 0.81 ALOX15 (0.50) BCHEACHEMEN1TP53CYP3A4
SCHEMBL580272 0.81 ALOX15 (0.50) BCHEACHEMEN1TP53CYP3A4
SCHEMBL581502 0.81 ALOX15 (0.50) BCHEACHEMEN1TP53CYP3A4
SCHEMBL586745 0.81 ALOX15 (0.50) BCHEACHEMEN1TP53CYP3A4
SCHEMBL26944534 0.80 ALDH1A1 (0.41) BCHEACHECA2MPOSLC6A4
SCHEMBL24299331 0.79 MPO (0.50) MEN1MAPTALOX15KMT2ATDP1
SCHEMBL12520531 0.79 TYR (0.56) MEN1TP53CYP3A4ALOX5MAPT

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 5 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-3405467-B1 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES OF NEBIVOLOL MENARINI INT OPERATIONS LUXEMBOURG SA (LU) 2021-08-04 EP disclosed
EP-3299364-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2018-03-28 EP disclosed
WO-2017125900-A1 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES OF NEBIVOLOL MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2017-07-27 WO disclosed