SCHEMBL9849209

SCHEMBL9849209

O=C1OC(=O)c2cc(C(c3ccc4c(c3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)ccc21.O=C1OC(=O)c2cc(Oc3ccc4c(c3)C(=O)OC4=O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.40
MAOB P27338 5/20 0.40
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.34
LMNA P02545 1/20 0.33
KIF11 P52732 1/20 0.33
TP53 P04637 2/20 0.32
POLB P06746 1/20 0.32
PDK2 Q15119 1/20 0.32
TGM2 P21980 2/20 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
SCHEMBL2607322 0.94 MAOA (0.43) MAOAMAOBATMTDP1MAPT
SCHEMBL49774 0.89 ALOX15 (0.43) ATMTDP1MAPTL3MBTL1ALDH1A1
SCHEMBL53274 0.86 MAPT (0.36) MAOAMAOBATMTDP1MAPT
SCHEMBL18180026 0.85 MAOA (0.37) MAOAMAOBATMTDP1MAPT
SCHEMBL12583807 0.84 MAOA (0.45) MAOAMAOBATMTDP1MAPT
SCHEMBL10416153 0.84 MAOB (0.45) MAOAMAOBATMTDP1MAPT
SCHEMBL15699449 0.84 SRD5A2 (0.41) MAOAMAOBLMNAPOLB
SCHEMBL23054908 0.83 BRD4 (0.46) MAPTALDH1A1POLB
SCHEMBL11887460 0.82 MAOA (0.41) MAOAMAOBATMTDP1MAPT
SCHEMBL42261 0.82 MAOA (0.53) MAOAMAOBATMTDP1MAPT

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-0424041-A2 Membranes obtained from copolymers of polyimides and aliphatic polyesters. EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-04-24 EP claimed