SCHEMBL9751398

SCHEMBL9751398

CC1(C)CCC[C@H]2CCCC[C@@]21C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 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
SCHEMBL31623102 1.00 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL2895674 0.95 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL3883605 0.95 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL9330807 0.95 ENTPD5 (0.30)
Hydrogen Peroxide SCHEMBL17420816 0.91 LMNA (0.33) SLC6A2SLC6A4SLC6A3
Cyclohexanol SCHEMBL28212682 0.85 TSHR (0.40)
Acetic Acid SCHEMBL5944254 0.83 LMNA (0.33)
SCHEMBL22280095 0.79 ALDH1A1 (0.35)
SCHEMBL27960091 0.74 SLC6A1 (0.31)
SCHEMBL11027439 0.73 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0404834-A4 SQUALENE OXIDE CYCLASE INHIBITORS AND THERAPEUTIC USE THEREOF 1991-01-23 EP disclosed
EP-0404834-A1 SQUALENE OXIDE CYCLASE INHIBITORS AND PHARMACEUTICAL COMPOSITION SOMATOGENETICS INTERNATIONAL, INC. (US) 1991-01-02 EP disclosed
WO-1989008450-A1 SQUALENE OXIDE CYCLASE INHIBITORS AND THERAPEUTIC USE THEREOF SOMATOGENETICS INTERNATIONAL, INC. (US) 1989-09-21 WO disclosed
US-4863932-A Squalene oxide cyclase inhibitors and therapeutic use thereof SOMATOGENETICS INTERNATIONAL, INC. (US) 1989-09-05 US disclosed