SCHEMBL8840822

SCHEMBL8840822

O=C(O)CCCCCCCCCCCCCCCCCc1cc2c3cc(O)c(O)cc3c3cc(O)c(CCCCCCCCCCCCCCCCCC(=O)O)cc3c2cc1O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 3/20 0.61
MAPT P10636 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
LTB4R Q15722 6/20 0.43
TBXAS1 P24557 3/20 0.42

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
SCHEMBL11322649 0.80 GPR84 (0.61) F13A1MAPTTSHR
SCHEMBL11315318 0.80 GPR84 (0.61) F13A1MAPTTSHR
SCHEMBL11312068 0.80 GPR84 (0.61) F13A1MAPTTSHR
SCHEMBL11308530 0.80 GPR84 (0.61) F13A1MAPTTSHR
SCHEMBL7794255 0.79 F13A1 (0.58) F13A1MAPTRXFP1LMNATSHR
SCHEMBL3885100 0.79 F13A1 (0.58) F13A1MAPTRXFP1LMNATSHR
SCHEMBL2381980 0.76 F13A1 (0.59) F13A1MAPTRXFP1LMNATSHR
SCHEMBL3838231 0.76 F13A1 (0.59) F13A1MAPTRXFP1LMNATSHR
SCHEMBL4148828 0.76 F13A1 (0.59) F13A1MAPTRXFP1LMNATSHR
SCHEMBL8764494 0.76 TYR (0.59) F13A1MAPTTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5637669-A THERMOSETTING RESIN; LIQUID CRYSTALLINE POLYMERS THE DOW CHEMICAL COMPANY (US) 1997-06-10 US disclosed
EP-0670856-A1 THERMOSETTABLE COMPOSITION CONTAINING MESOGENIC MOIETIES THE DOW CHEMICAL COMPANY (US) 1995-09-13 EP disclosed
WO-1994012556-A2 THERMOSETTABLE COMPOSITION CONTAINING DISCOTIC MESOGENIC MOIETIES THE DOW CHEMICAL COMPANY (US) 1994-06-09 WO disclosed