SCHEMBL22018085

SCHEMBL22018085

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

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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 0.91 TSHR (0.40) TSHRPOLBHSD17B10MEN1KMT2A
SCHEMBL21985349 0.85 TSHR (0.36) TSHRPOLBHSD17B10MEN1KMT2A
SCHEMBL10071618 0.83 TSHR (0.37) TSHRMEN1KMT2A
SCHEMBL36036 0.81 TSHR (0.45) TSHRPOLBHSD17B10MEN1KMT2A
SCHEMBL36226 0.80 TSHR (0.40) TSHRPOLBHSD17B10MEN1KMT2A
SCHEMBL18003789 0.77 ACACB (0.38)
SCHEMBL21089712 0.76 LTA4H (0.40) TSHRPOLBHSD17B10MEN1KMT2A
SCHEMBL36030 0.76 MEN1 (0.41) TSHRPOLBHSD17B10MEN1KMT2A
SCHEMBL36335 0.76 TSHR (0.37) TSHRPOLBHSD17B10MEN1KMT2A
SCHEMBL36312 0.75 TSHR (0.38) TSHRHSD17B10MEN1KMT2A

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
US-20200161556-A1 ORGANIC ELECTRONICS MATERIAL AND ORGANIC ELECTRONICS ELEMENT RESONAC CORPORATION (JP) 2020-05-21 US disclosed