SCHEMBL6231175

SCHEMBL6231175

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.32
GRM1 Q13255 2/20 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
SCHEMBL4037047 0.92 PKM (0.50) TSHRHSD17B10PKMSMN1; SMN2RAB9A
SCHEMBL4037265 0.89 PKM (0.52) TSHRHSD17B10PKMSMN1; SMN2RAB9A
SCHEMBL20851067 0.89 MEN1 (0.37) TSHRHSD17B10MEN1KMT2AALDH1A1
SCHEMBL9143861 0.89 MEN1 (0.37) TSHRHSD17B10MEN1KMT2AALDH1A1
SCHEMBL5080834 0.89 MEN1 (0.37) TSHRHSD17B10MEN1KMT2AALDH1A1
SCHEMBL5080920 0.89 MEN1 (0.37) TSHRHSD17B10MEN1KMT2AALDH1A1
SCHEMBL5080951 0.89 MEN1 (0.37) TSHRHSD17B10MEN1KMT2AALDH1A1
SCHEMBL6231172 0.88 TSHR (0.36) TSHRHSD17B10PKMSMN1; SMN2RAB9A
SCHEMBL20345497 0.87 TSHR (0.48) TSHRHSD17B10PKMSMN1; SMN2RAB9A
SCHEMBL2745710 0.85 PKM (0.56) TSHRHSD17B10PKMSMN1; SMN2RAB9A

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