SCHEMBL7841344

SCHEMBL7841344

COC(=O)CC1=C(C(=O)O)C(c2c(Cl)cccc2Cl)C(C(=O)O)=C(CCc2cc(C(C)C)ccc2OC)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
MC4R P32245 2/20 0.35
KCNH2 Q12809 1/20 0.35
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
TACR1 P25103 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CFTR P13569 1/20 0.33
IDH1 O75874 1/20 0.33
S1PR1 P21453 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LPAR1 Q92633 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC7A5 Q01650 1/20 0.32
MDM2 Q00987 1/20 0.32

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
SCHEMBL7843083 0.86 ALDH1A1 (0.41) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL7829126 0.81 KDM4E (0.41) MAPTTP53TACR1SMN1; SMN2ALDH1A1
SCHEMBL6946876 0.80 TTR (0.35) TP53SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6153461 0.80 CYP4F2 (0.34) TP53SMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL6949307 0.80 CYP2C9 (0.32) MAPTTP53SMN1; SMN2CYP2D6ALDH1A1
SCHEMBL7836265 0.79 SLC7A5 (0.39) ALDH1A1KDM4EMEN1KMT2ASLC7A5
SCHEMBL6153189 0.79 CYP2C9 (0.32) TP53SMN1; SMN2CYP2D6ALDH1A1KDM4E
SCHEMBL6152821 0.77 KMT2A (0.31) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6948274 0.76 SMN1; SMN2 (0.42) MAPTTP53KCNH2SMN1; SMN2CYP2D6
SCHEMBL6153144 0.76 PPARG (0.35) ALDH1A1MEN1KMT2A

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-0777653-B1 DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER (US) 2001-08-22 EP disclosed
US-5859011-A Dihydropyridine derivatives as bradykinin antagonist PFIZER INC. (US) 1999-01-12 US disclosed
WO-1996006082-A1 DIHYDROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1996-02-29 WO disclosed