SCHEMBL2707308

SCHEMBL2707308

CC(O)(CC#N)C1CCCCC1

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL2707305 1.00 MEN1 (0.30) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL6564233 0.75 TSHR (0.32)
SCHEMBL10876420 0.73 CYP1A2 (0.36) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL10876431 0.73 CYP1A2 (0.36) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL28226750 0.72
SCHEMBL18662530 0.71
SCHEMBL11110032 0.71 LMNA (0.36) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL14048439 0.70 CYP1A2 (0.32) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL11089650 0.70 CYP2D6 (0.33) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL28578100 0.70 CYP1A2 (0.38) MEN1ALDH1A1LMNAALOX12KMT2A

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-1966385-B1 A process for the production of an optically enriched tertiary alcohol BASF SE (DE) 2012-05-02 EP disclosed