SCHEMBL8807883

SCHEMBL8807883

C[C@H](NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 7/20 0.54
ALDH1A1 P00352 2/20 0.54
MITF O75030 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
LTA4H P09960 1/20 0.54
EPHX2 P34913 1/20 0.54
CASR P41180 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 1/20 0.50
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MEN1 O00255 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL8808116 1.00 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AALDH1A1MITFLMNA
SCHEMBL8694072 0.91 SMN1; SMN2 (0.66) SMN1; SMN2KMT2AALDH1A1LMNAHTT
SCHEMBL8499037 0.91 SMN1; SMN2 (0.66) SMN1; SMN2KMT2AALDH1A1LMNAHTT
SCHEMBL19570479 0.91 SMN1; SMN2 (0.70) SMN1; SMN2KMT2AALDH1A1MITFLMNA
SCHEMBL5270611 0.83 BCHE (0.59) SMN1; SMN2KMT2AALDH1A1MITFLMNA
SCHEMBL14469578 0.82 SMN1; SMN2 (0.82) SMN1; SMN2KMT2AALDH1A1LMNAHTT
SCHEMBL6142841 0.81 CASR (0.75) SMN1; SMN2KMT2AALDH1A1MITFLMNA
SCHEMBL1162780 0.81 CASR (0.75) SMN1; SMN2KMT2AALDH1A1MITFLMNA
SCHEMBL5270710 0.80 LTA4H (0.48) SMN1; SMN2KMT2AALDH1A1HTTLTA4H
SCHEMBL29560 0.79 SMN1; SMN2 (0.76) SMN1; SMN2KMT2AALDH1A1LMNAHTT

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-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed