SCHEMBL6231639

SCHEMBL6231639

[CH2]C12CC3(C)CC(C(=O)O)(C1)CC(C(=O)O)(C2)C3

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.36
GRM1 Q13255 2/20 0.33
FFAR3 O14843 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL6227662 0.96 PKM (0.46) PKMRAB9AGRM1FFAR3TSHR
SCHEMBL6231172 0.88 TSHR (0.36) PKMRAB9ATSHRHSD17B10SMN1; SMN2
SCHEMBL6226927 0.87 PKM (0.35) PKMRAB9ASMN1; SMN2ALDH1A1
SCHEMBL5080859 0.86 PKM (0.52) PKMRAB9AGRM1FFAR3TSHR
SCHEMBL2745710 0.84 PKM (0.56) PKMRAB9AGRM1FFAR3TSHR
SCHEMBL20295753 0.83
SCHEMBL13738157 0.83
SCHEMBL6229340 0.82 PKM (0.32) PKM
Hydrochloric Acid SCHEMBL5614131 0.81 PKM (0.54) PKMRAB9AGRM1FFAR3TSHR
SCHEMBL6228639 0.81 PKM (0.32) PKM

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-1602975-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2005-12-07 EP disclosed