SCHEMBL29919733

SCHEMBL29919733

CC(C)(C)OC(=O)OC1C=CCCO1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL18449658 0.84 CYP2C19 (0.31)
SCHEMBL27255462 0.83 NFKB1 (0.34)
SCHEMBL18449659 0.75 CYP2C19 (0.33)
SCHEMBL17190431 0.74 USP2 (0.34) USP2SMN1; SMN2
SCHEMBL7102620 0.71 MAPT (0.32)
SCHEMBL28989989 0.71 CA12 (0.44)
SCHEMBL28989988 0.71 CA12 (0.44)
SCHEMBL17079962 0.69 NFKB1 (0.30)
SCHEMBL29919514 0.69 NFKB1 (0.30)
SCHEMBL17190445 0.69 CHRM2 (0.33)

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-3347355-B1 HETEROTRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS ICAHN SCHOOL MED MOUNT SINAI (US) 2022-07-13 EP disclosed