SCHEMBL21869508

SCHEMBL21869508

CN(CCCCCCC1CCCO1)CC1CCCO1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NAMPT P43490 1/20 0.33
POLB P06746 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
TLR7 Q9NYK1 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
SCHEMBL3684347 0.80 EPHX1 (0.60) EPHX1LMNAALDH1A1TP53HPGD
SCHEMBL13294283 0.80 EPHX1 (0.60) EPHX1LMNAALDH1A1TP53HPGD
SCHEMBL15308496 0.79 ALDH1A1 (0.41) EPHX1LMNAALDH1A1HPGDKMT2A
SCHEMBL15308549 0.79 ALDH1A1 (0.41) EPHX1LMNAALDH1A1HPGDKMT2A
SCHEMBL11306190 0.77 ALDH1A1 (0.40) LMNAALDH1A1HPGDKMT2AMEN1
SCHEMBL6450378 0.77 LMNA (0.53) EPHX1LMNAALDH1A1SIGMAR1TP53
SCHEMBL4626384 0.74 EPHX1 (0.80) EPHX1LMNAALDH1A1TP53HPGD
SCHEMBL538474 0.74 EPHX1 (0.80) EPHX1LMNAALDH1A1TP53HPGD
SCHEMBL18825665 0.74 EPHX1 (0.80) EPHX1LMNAALDH1A1TP53HPGD
SCHEMBL5515259 0.74 EPHX1 (0.80) EPHX1LMNAALDH1A1TP53HPGD

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-2914234-B1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2020-04-01 EP disclosed