SCHEMBL21769671

SCHEMBL21769671

CCC(C)c1ccc(I)cc1C1CO1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
RORC P51449 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
SCHEMBL21765348 0.83 GABRA1 (0.34)
SCHEMBL14188166 0.69 TSHR (0.38) TSHRRORC
SCHEMBL4905949 0.69 TSHR (0.57) TSHRRORC
SCHEMBL19121055 0.69 TSHR (0.38) TSHRRORC
SCHEMBL4917919 0.67 RORC (0.58) TSHRRORC
SCHEMBL16846285 0.66 TSHR (0.38) TSHRRORC
SCHEMBL25658351 0.64 TSHR (0.36) TSHRRORC
SCHEMBL21756929 0.62 GABRA1 (0.36)
SCHEMBL18133526 0.62 TSHR (0.43) TSHR
SCHEMBL6276897 0.61 TSHR (0.41) TSHR

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
WO-2020039088-A2 NOVEL COMPOUNDS Xeniopro GmbH (DE) 2020-02-27 WO disclosed