SCHEMBL8025969

SCHEMBL8025969

c1c[nH]c(SN2CCCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.37
TXN P10599 1/20 0.36
TXNRD1 Q16881 1/20 0.36
FDPS P14324 1/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2A Q12879 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CTSK P43235 1/20 0.32
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HSD11B1 P28845 1/20 0.31
F2RL1 P55085 2/20 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
SCHEMBL8524644 0.98 ALOX15 (0.36) ALOX15TXNTXNRD1FDPSGRIN2B
SCHEMBL1740306 0.68 TXN (0.45) ALOX15TXNTXNRD1FDPSGRIN2B
SCHEMBL3503342 0.68 TXN (0.55) ALOX15TXNTXNRD1FDPSGRIN2B
SCHEMBL317286 0.64
SCHEMBL7807377 0.64
SCHEMBL8874 0.64
SCHEMBL1145987 0.64
SCHEMBL25570 0.64
SCHEMBL7658749 0.64
SCHEMBL29111458 0.64

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0981539-A1 DOLASTATIN 15 DERIVATIVES WITH CARBONYL AND HETEROCYCLIC FUNCTIONALITIES AT THE C-TERMINUS BASF AKTIENGESELLSCHAFT (DE) 2000-03-01 EP disclosed
US-5965537-A ANTICANCER AGENTS; WATER SOLUBILITY BASF AKTIENGESELLSCHAFT (DE) 1999-10-12 US disclosed
WO-1998040400-A1 DOLASTATIN 15 DERIVATIVES WITH CARBONYL AND HETEROCYCLIC FUNCTIONALITIES AT THE C-TERMINUS BASF AKTIENGESELLSCHAFT (DE) 1998-09-17 WO disclosed