SCHEMBL8901195

SCHEMBL8901195

CCC1(c2cccc(C)c2N)OCCO1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.42
TXNRD1 Q16881 1/20 0.32
TXNRD3 Q86VQ6 1/20 0.32
TXNRD2 Q9NNW7 1/20 0.32
ACHE P22303 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
SCHEMBL8902292 0.77 CD44 (0.47) CD44ACHE
SCHEMBL8097950 0.74 CES1 (0.32)
SCHEMBL3212777 0.70 POLB (0.33) TXNRD1TXNRD3TXNRD2
SCHEMBL3214592 0.70 KDM1A (0.36) TXNRD1TXNRD3TXNRD2
SCHEMBL28875142 0.67 L3MBTL1 (0.36)
SCHEMBL11545255 0.67 ALDH1A1 (0.34) ACHE
SCHEMBL28308896 0.67 HDAC4 (0.39)
Propane SCHEMBL28749324 0.66 CD44 (0.62) CD44ACHE
SCHEMBL25244403 0.66 CD44 (0.50) CD44ACHE
SCHEMBL31546551 0.66 CD44 (0.41) CD44

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-1997040026-A1 SUBSTITUTED SULFONYLAMINO(THIO)CARBONYLTRIAZOLIN(THI)ONES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-30 WO disclosed