SCHEMBL4363986

SCHEMBL4363986

O=C1c2ccc(O)c(O)c2C(=O)N1[C@@H]1CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 11/20 0.48
DDB1 Q16531 10/20 0.48
IKZF3 Q9UKT9 2/20 0.41
TNF P01375 1/20 0.41
IL1B P01584 1/20 0.41
TBXA2R P21731 1/20 0.41
IKZF1 Q13422 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CHRM2 P08172 1/20 0.39
OPRM1 P35372 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD11B1 P28845 2/20 0.37
PIN1 Q13526 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
BCL2 P10415 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4362085 1.00 CRBN (0.48) CRBNDDB1IKZF3TNFIL1B
SCHEMBL4363944 1.00 CRBN (0.48) CRBNDDB1IKZF3TNFIL1B
SCHEMBL4373314 0.93 DDB1 (0.44) CRBNDDB1IKZF3TNFIL1B
SCHEMBL4366275 0.93 DDB1 (0.44) CRBNDDB1IKZF3TNFIL1B
SCHEMBL4366273 0.93 DDB1 (0.44) CRBNDDB1IKZF3TNFIL1B
SCHEMBL13952251 0.81 DDB1 (0.42) CRBNDDB1IKZF3TNFIL1B
SCHEMBL30703123 0.80 CRBN (0.57) CRBNDDB1IKZF3TNFIL1B
SCHEMBL15028540 0.80 CRBN (0.57) CRBNDDB1IKZF3TNFIL1B
SCHEMBL2557698 0.80 CRBN (0.57) CRBNDDB1IKZF3TNFIL1B
SCHEMBL2557414 0.78 CRBN (0.65) CRBNDDB1IKZF3TNFIL1B

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
WO-2009026248-A2 HYDRAZIDE, AMIDE, PHTHALIMIDE AND PHTHALHYDRAZIDE ANALOGS AS INHIBITORS OF RETROVIRAL INTEGRASE THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, OFFICE OF TECHNOLOGY TRANSFER (US) 2009-02-26 WO claimed
WO-2009026248-A2 HYDRAZIDE, AMIDE, PHTHALIMIDE AND PHTHALHYDRAZIDE ANALOGS AS INHIBITORS OF RETROVIRAL INTEGRASE THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, OFFICE OF TECHNOLOGY TRANSFER (US) 2009-02-26 WO disclosed