SCHEMBL8766989

SCHEMBL8766989

FC(F)Oc1ccc([C@H]2CC[C@H]([C@H]3CC[C@H](C4CCCC4)CC3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
MDM2 Q00987 1/20 0.40
KMT2A Q03164 4/20 0.38
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAT2A P31153 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A4 P31645 1/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5147786 0.89 ALDH1A1 (0.44) IDO1ALDH1A1TSHRMDM2KMT2A
SCHEMBL5146469 0.89 IDO1 (0.47) IDO1ALDH1A1TSHRMDM2KMT2A
SCHEMBL8767282 0.88 MAPT (0.43) IDO1ALDH1A1TSHRMDM2MAT2A
SCHEMBL5144846 0.87 KCNH2 (0.44) IDO1ALDH1A1TSHRMDM2KMT2A
SCHEMBL9185414 0.87 IDO1 (0.40) IDO1ALDH1A1TSHRMDM2KMT2A
SCHEMBL9185418 0.87 IDO1 (0.40) IDO1ALDH1A1TSHRMDM2KMT2A
SCHEMBL9060709 0.87 ESR2 (0.47) IDO1ALDH1A1TSHRMDM2KMT2A
SCHEMBL13480380 0.87 ESR2 (0.47) IDO1ALDH1A1TSHRMDM2KMT2A
SCHEMBL8767786 0.85 MAPT (0.41) IDO1ALDH1A1TSHRMDM2SMN1; SMN2
SCHEMBL8767312 0.85 MAPT (0.41) IDO1ALDH1A1TSHRMDM2SMN1; SMN2

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-0789067-A1 Cyclopentyl derivatives useful as liquid crystals Rolic AG (CH) 1997-08-13 EP disclosed