SCHEMBL24166317

SCHEMBL24166317

O[C@H]1CC[C@@H](COCc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
TSHR P16473 1/20 0.45
AGTR2 P50052 1/20 0.43
NAAA Q02083 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7279522 0.90 CTSL (0.46) CTSLCTSBCTSKTSHRAGTR2
SCHEMBL17043033 0.90 CTSL (0.50) CTSLCTSBCTSKTSHRAGTR2
SCHEMBL17043168 0.90 CTSL (0.50) CTSLCTSBCTSKTSHRAGTR2
SCHEMBL17043034 0.90 CTSL (0.50) CTSLCTSBCTSKTSHRAGTR2
SCHEMBL598878 0.88 TSHR (0.50) CTSLCTSBCTSKTSHRAGTR2
SCHEMBL477464 0.88 TSHR (0.50) CTSLCTSBCTSKTSHRAGTR2
SCHEMBL477463 0.88 TSHR (0.50) CTSLCTSBCTSKTSHRAGTR2
SCHEMBL13095848 0.84 CTSL (0.41) CTSLCTSBCTSKTSHRAGTR2
SCHEMBL1928095 0.84 TSHR (0.58) CTSLCTSBCTSKTSHRNAAA
SCHEMBL17019782 0.84 TSHR (0.58) CTSLCTSBCTSKTSHRNAAA

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-3707151-B1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICALS CO (JP) 2022-01-05 EP disclosed