SCHEMBL24316795

SCHEMBL24316795

C[C@H](CO)CCCc1cc(F)ccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.46
PTGER4 P35408 2/20 0.46
PTGER3 P43115 2/20 0.46
PTGER2 P43116 2/20 0.46
MTNR1A P48039 3/20 0.43
MTNR1B P49286 2/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
ABCB1 P08183 2/20 0.43
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MGLL Q99685 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCR5 P51681 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL20006868 0.87 PTGER1 (0.44) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL20179453 0.81 MGLL (0.52) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL18894534 0.81 HTR1A (0.53) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL16797594 0.78 HTR1A (0.53) FFAR1FFAR4ABCB1HTR1ADRD2
SCHEMBL6216285 0.78 ELANE (0.53) FFAR1FFAR4ABCB1HTR1ADRD2
SCHEMBL20958058 0.77 L3MBTL1 (0.46) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL24316909 0.77 PTGER1 (0.44) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL16797742 0.76 LMNA (0.45) PTGER1FFAR1FFAR4ABCB1HTR1A
SCHEMBL28020148 0.75 HTR1A (0.53) PTGER1FFAR1FFAR4ABCB1HTR1A
SCHEMBL15583063 0.75 HTR1A (0.51) FFAR1FFAR4ABCB1HTR1ADRD2

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 1 patent. 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