SCHEMBL7051672

SCHEMBL7051672

O=C(O)CCCCCCCc1ncc[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 1.00
TERT O14746 1/20 0.45
F13A1 P00488 3/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL1460951 1.00 TBXAS1 (1.00) TBXAS1TERTF13A1MAPTRXFP1
SCHEMBL11009198 1.00 TBXAS1 (1.00) TBXAS1TERTF13A1MAPTRXFP1
SCHEMBL1091991 1.00 TBXAS1 (1.00) TBXAS1TERTF13A1MAPTRXFP1
SCHEMBL28703772 1.00 TBXAS1 (1.00) TBXAS1TERTF13A1MAPTRXFP1
SCHEMBL4655987 0.98 TBXAS1 (0.97) TBXAS1TERTF13A1MAPTRXFP1
SCHEMBL8979265 0.93 TBXAS1 (0.87) TBXAS1TERTMAPT
Adipic Acid SCHEMBL2459217 0.92 TBXAS1 (0.85) TBXAS1TSHR
Hydrochloric Acid SCHEMBL11657876 0.91 TBXAS1 (0.87) TBXAS1TERTMAPT
SCHEMBL30917328 0.91 TBXAS1 (0.83) TBXAS1TERTMAPTLMNATSHR
Thiophene SCHEMBL8576663 0.88 TBXAS1 (0.78) TBXAS1TERTMAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed
US-4444775-A ENZYME INHIBITORS CIBA-GEIGY CORPORATION (US) 1984-04-24 US disclosed