SCHEMBL7699535

SCHEMBL7699535

O=C(O)c1ccc(OCCN2CC3CCC2C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
ESR1 P03372 2/20 0.46
MAPK1 P28482 1/20 0.46
TBXAS1 P24557 2/20 0.45
KDM1A O60341 2/20 0.45
PTGER4 P35408 5/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
LTA4H P09960 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
ESR2 Q92731 1/20 0.42
PTGER2 P43116 1/20 0.42

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
Hydrochloric Acid SCHEMBL8026312 0.80 TBXAS1 (0.43) PKMMAPK1TBXAS1KDM1AMEN1
SCHEMBL3042625 0.73 LTA4H (0.57) PTGER4LTA4H
SCHEMBL3039545 0.72 LTA4H (0.54) PTGER4LTA4H
SCHEMBL3042988 0.72 LTA4H (0.53) MAPK1PTGER4LMNALTA4H
SCHEMBL22048755 0.71 KDM1A (0.55) PKMMAPK1TBXAS1KDM1AMEN1
SCHEMBL3819400 0.71 GBA2 (0.52) PKMMAPK1
SCHEMBL16180269 0.71 GBA2 (0.52) PKMMAPK1
SCHEMBL3826442 0.70 HRH3 (0.62) PKMESR1MAPK1TBXAS1KDM1A
SCHEMBL1979241 0.70 HRH3 (0.70) PKMMAPK1TBXAS1KDM1AMEN1
SCHEMBL19047914 0.70 HRH1 (0.60) PKMKDM1AHRH2HRH1LTA4H

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-0802910-B1 ESTROGEN AGONISTS/ANTAGONISTS PFIZER (US) 2002-03-13 EP disclosed