SCHEMBL9864202

SCHEMBL9864202

C=CCOC(=O)/C=C/S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
ALDH1A1 P00352 5/20 0.53
TP53 P04637 3/20 0.53
MAPK1 P28482 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
XBP1 P17861 1/20 0.53
AGTR1 P30556 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TLR9 Q9NR96 1/20 0.50
KMT2A Q03164 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
RAB9A P51151 2/20 0.45
CYP3A4 P08684 2/20 0.45
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
S100A4 P26447 1/20 0.45
MTOR P42345 1/20 0.45
NFKB2 Q00653 1/20 0.45

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
SCHEMBL9864212 1.00 MAPT (0.53) MAPTALDH1A1TP53MAPK1NPSR1
SCHEMBL19195341 0.85 ALDH1A1 (0.70) MAPTALDH1A1TP53MAPK1NPSR1
SCHEMBL27671949 0.80 CTSK (0.51) MAPTALDH1A1TP53MAPK1NPSR1
SCHEMBL17652439 0.79 ALDH1A1 (0.68) MAPTALDH1A1TP53MAPK1NPSR1
SCHEMBL17652438 0.79 ALDH1A1 (0.68) MAPTALDH1A1TP53MAPK1NPSR1
SCHEMBL19195144 0.79 ALDH1A1 (0.68) MAPTALDH1A1TP53MAPK1NPSR1
SCHEMBL28474982 0.77 ALDH1A1 (0.50) MAPTALDH1A1TP53MAPK1NPSR1
SCHEMBL28474983 0.77 ALDH1A1 (0.50) MAPTALDH1A1TP53MAPK1NPSR1
SCHEMBL7039561 0.76 TLR9 (0.53) MAPTALDH1A1TP53MAPK1NPSR1
SCHEMBL7039565 0.76 TLR9 (0.53) MAPTALDH1A1TP53MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
US-4826992-A MICROBIOCIDE INTERMEDIATES ELI LILLY AND COMPANY (US) 1989-05-02 US disclosed
EP-0203723-A1 2,3-(dihydro)bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0203722-A1 Bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0202794-A1 7-Substituted-2,3-(Dihydro) bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-26 EP disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed