SCHEMBL7739725

SCHEMBL7739725

C[C@H]1O[C@@H](n2c(Br)nc3ccc(C(F)(F)F)cc32)[C@H](O)[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.38
CYP11B1 P15538 1/20 0.36
HTR3A P46098 1/20 0.35
PDE2A O00408 7/20 0.34
PDE10A Q9Y233 6/20 0.34
SLC15A1 P46059 1/20 0.33
HSPA8 P11142 1/20 0.33
KDM4E B2RXH2 1/20 0.33
EGFR P00533 1/20 0.32
ADK P55263 1/20 0.32
PDE7A Q13946 1/20 0.32
PNP P00491 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL7114288 0.84 HDAC6 (0.49) CYP11B2CYP11B1HTR3AHSPA8EGFR
SCHEMBL7114061 0.80 CYP11B2 (0.34) CYP11B2CYP11B1HTR3ASLC15A1KDM4E
SCHEMBL7213111 0.77 HDAC6 (0.50) SLC15A1HSPA8ADKPNP
SCHEMBL7114052 0.75 HDAC6 (0.49) HSPA8EGFR
SCHEMBL7739913 0.75 SLC15A1 (0.38) CYP11B2SLC15A1HSPA8ADK
SCHEMBL7113026 0.72 CYP11B2 (0.35) CYP11B2CYP11B1HTR3APDE2APDE10A
SCHEMBL7111753 0.71 USP2 (0.39) KDM4E
SCHEMBL7742269 0.69 HDAC6 (0.43) SLC15A1ADK
SCHEMBL7742274 0.69 HDAC6 (0.43) SLC15A1ADK
SCHEMBL7119690 0.65 HDAC6 (0.60) SLC15A1HSPA8

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
US-6413938-B1 HERPES VIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-07-02 US claimed
US-6413938-B1 HERPES VIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-07-02 US disclosed