SCHEMBL9724103

SCHEMBL9724103

CC(C)(C)c1ccc(Sc2ccc(C=O)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
P4HB P07237 1/20 0.35
HTR1A P08908 1/20 0.33
HTR3A P46098 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGIR P43119 1/20 0.31
CYP1A2 P05177 1/20 0.31
DHFR P00374 2/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL6489008 0.78 MAPT (0.39) MAPTICAM1SELESMN1; SMN2MEN1
SCHEMBL9373023 0.78 APP (0.38) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7593054 0.77 ALDH1A1 (0.43) ALDH1A1MAPTP4HBICAM1SELE
SCHEMBL19274825 0.75 LOX (0.42) ALDH1A1MEN1KMT2A
SCHEMBL19274456 0.74 LOX (0.42) ALDH1A1
SCHEMBL19274826 0.74 ALDH1A1 (0.35) ALDH1A1
SCHEMBL19274457 0.73
SCHEMBL2775158 0.72 ALDH1A1 (0.52) ALDH1A1MAPTTSHRTP53SMN1; SMN2
SCHEMBL9584374 0.72 ALDH1A1 (0.46) ALDH1A1MAPTKDM4E
SCHEMBL5737144 0.71 APP (0.50) ALDH1A1MAPTTSHRTP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5158971-A Antiallergens, antiinflammatory agents LILLY INDUSTRIES LIMITED (GB) 1992-10-27 US disclosed
EP-0459748-A2 Thien-2-yl methylurea derivatives as leukotriene inhibitors LILLY INDUSTRIES LIMITED (GB) 1991-12-04 EP disclosed