SCHEMBL8633735

SCHEMBL8633735

COCCOCOc1ccccc1[CH]C(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 3/20 0.36
PTK2B Q14289 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
F2 P00734 1/20 0.35
ELANE P08246 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HPGD P15428 1/20 0.35
GPR88 Q9GZN0 2/20 0.35
MEN1 O00255 2/20 0.35
CTNNB1 P35222 1/20 0.35

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
SCHEMBL8381714 0.77 LMNA (0.39) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL8380440 0.76 PTGER3 (0.56) ATMLMNAMAPTSMN1; SMN2KDM4E
SCHEMBL8382692 0.75 HTR1A (0.35) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL8379003 0.75 ALDH1A1 (0.36) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL8381832 0.75 ALDH1A1 (0.36) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL3235018 0.75 ALDH1A1 (0.62) L3MBTL1LMNAMAPTALDH1A1KMT2A
SCHEMBL8435541 0.74 RARG (0.37) HTR1AADRA1DADRA1AADRA1BKMT2A
SCHEMBL9364775 0.74 FDPS (0.39) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL9364780 0.74 FDPS (0.39) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL10477126 0.74 KDM4E (0.60) ATMLMNAMAPTALDH1A1KMT2A

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-5712266-A Cephalosporins ROUSSEL UCLAF (FR) 1998-01-27 US disclosed