SCHEMBL2888060

SCHEMBL2888060

C=C(C(=O)OC)C12CC3(C)CC(C)(CC(O)(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.38
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.34
DPP4 P27487 1/20 0.32
GAA P10253 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
SCHEMBL4036133 0.78 TSHR (0.44) TSHRHSD17B10PKMALDH1A1SMN1; SMN2
SCHEMBL28027910 0.75 MAPT (0.48) SMN1; SMN2GAA
SCHEMBL5608366 0.74 TSHR (0.41) TSHRHSD17B10PKMALDH1A1SMN1; SMN2
SCHEMBL5608040 0.74 TSHR (0.41) TSHRHSD17B10PKMALDH1A1SMN1; SMN2
SCHEMBL1733355 0.71 PKM (0.48) TSHRHSD17B10PKMALDH1A1SMN1; SMN2
SCHEMBL7734562 0.71 PKM (0.48) TSHRHSD17B10PKMALDH1A1SMN1; SMN2
SCHEMBL23420399 0.70 HSD11B1 (0.47) TSHRPKMALDH1A1SMN1; SMN2
SCHEMBL4036128 0.70 TSHR (0.35) TSHRHSD17B10PKMALDH1A1SMN1; SMN2
SCHEMBL21002193 0.70 PKM (0.78) TSHRHSD17B10PKMALDH1A1SMN1; SMN2
SCHEMBL677954 0.69 ALDH1A1 (0.33) TSHRHSD17B10ALDH1A1

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-8431324-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2013-04-30 US disclosed
US-20100285405-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-11-11 US disclosed