SCHEMBL8818059

SCHEMBL8818059

CCCC(O[C]=O)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
PRSS1 P07477 1/20 0.32
CTSG P08311 1/20 0.32
CTRB1 P17538 1/20 0.32
CMA1 P23946 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR1 O14842 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
KCNN4 O15554 2/20 0.32
KCNH2 Q12809 1/20 0.31
MAPK1 P28482 1/20 0.31
KIF11 P52732 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3039500 0.71
SCHEMBL1432767 0.70 AOC3 (0.39) ALOX15PPARGPPARAPOLBSMN1; SMN2
SCHEMBL2384595 0.70
SCHEMBL2319956 0.69 MAPK1 (0.40) ALDH1A1ALOX15PRSS1CTSGCTRB1
SCHEMBL16553332 0.68 NPSR1 (0.31) POLBSMN1; SMN2MAPK1L3MBTL1
SCHEMBL18036540 0.67 TSHR (0.37)
SCHEMBL6738852 0.66 AOC3 (0.41) KCNN4LMNA
SCHEMBL9095500 0.66
SCHEMBL15178054 0.66 ALDH1A1 (0.35) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL705097 0.66 MAPK1 (0.36) ALDH1A1ALOX15PRSS1CTSGCTRB1

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
WO-1997038692-A1 BISINDOLES FOR TREATING PAIN OR NOCICEPTION ELI LILLY AND COMPANY (US) 1997-10-23 WO disclosed