SCHEMBL9099879

SCHEMBL9099879

OCCC(c1ccccc1)C(O)(c1ccc(OCc2ccccc2)cc1)c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
CYP2D6 P10635 1/20 0.36
LTA4H P09960 1/20 0.36
EPHX2 P34913 1/20 0.36
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DHFR P00374 1/20 0.35
CHRM4 P08173 1/20 0.35
CCR5 P51681 1/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGS2 P35354 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL5725898 0.92 MEN1 (0.39) KMT2AMEN1POLBDHFRSLC6A3
SCHEMBL5725631 0.87 NPSR1 (0.36) KMT2AMEN1POLBSMN1; SMN2SLC6A2
SCHEMBL10803495 0.85 MEN1 (0.37) KMT2AMEN1POLBDHFRSLC6A2
SCHEMBL5726536 0.83 DHFR (0.39) KMT2AMEN1POLBDHFRSLC6A3
SCHEMBL9859794 0.82 LTA4H (0.48) KMT2AMEN1POLBLTA4HEPHX2
SCHEMBL10916857 0.82 MEN1 (0.41) KMT2AMEN1POLBDHFRSLC6A3
SCHEMBL8601010 0.82 LMNA (0.46) KMT2AMEN1HRH3CYP2D6LTA4H
SCHEMBL10923422 0.79 MEN1 (0.47) KMT2AMEN1POLBRAB9ASLC6A3
SCHEMBL9860239 0.79 MEN1 (0.43) KMT2AMEN1POLBRAB9ADHFR
SCHEMBL19556828 0.79 DHFR (0.45) KMT2AMEN1HRH3CYP2D6RAB9A

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
US-5491173-A ESTROGENIC, ANTIESTROGENIC AGENTS, ANTITUMOR AGENTS ORION-YHTYMA OY (FI) 1996-02-13 US disclosed