SCHEMBL21985349

SCHEMBL21985349

CCC1(COc2cc(C)cc(OCC3(CC)COC3)c2)COC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
F2 P00734 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.32
MAOA P21397 1/20 0.32
SLC6A2 P23975 1/20 0.32
POLB P06746 2/20 0.31
HSD17B10 Q99714 1/20 0.30
HPGD P15428 1/20 0.30
SYK P43405 1/20 0.30

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
SCHEMBL13929125 0.93 TSHR (0.40) TSHRKMT2AMEN1POLBHSD17B10
SCHEMBL22018085 0.85 TSHR (0.36) TSHRKMT2AMEN1POLBHSD17B10
SCHEMBL13724631 0.84 ACHE (0.44) TSHRKMT2APOLBHSD17B10
SCHEMBL1127852 0.83 TSHR (0.39) TSHRKMT2AMEN1LMNAHPGD
SCHEMBL36036 0.83 TSHR (0.45) TSHRKMT2AMEN1LMNAPOLB
SCHEMBL36226 0.82 TSHR (0.40) TSHRKMT2AMEN1LMNAPOLB
SCHEMBL21089712 0.77 LTA4H (0.40) TSHRKMT2AMEN1LMNAPOLB
SCHEMBL36030 0.77 MEN1 (0.41) TSHRKMT2AMEN1LMNAPOLB
SCHEMBL36335 0.77 TSHR (0.37) TSHRKMT2AMEN1POLBHSD17B10
SCHEMBL36312 0.77 TSHR (0.38) TSHRKMT2AMEN1LMNAHSD17B10

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-3651223-A1 ORGANIC ELECTRONICS MATERIAL AND ORGANIC ELECTRONICS ELEMENT Hitachi Chemical Company, Ltd. (JP) 2020-05-13 EP disclosed