SCHEMBL11700951

SCHEMBL11700951

OCCN(C1CCCC1)C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
ADH1A P07327 4/20 0.32
ADH1C P00326 2/20 0.32
SLC29A1 Q99808 4/20 0.32
LMNA P02545 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
PHGDH O43175 1/20 0.31
MAPT P10636 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
SCHEMBL6333592 0.97 MEN1 (0.36) CYP1A2CYP2D6MEN1KMT2AALDH1A1
SCHEMBL10515323 0.97 SLC29A1 (0.32) CYP1A2CYP2D6MEN1KMT2AALDH1A1
Ethylene Glycol SCHEMBL10620794 0.95 MEN1 (0.35) CYP1A2CYP2D6MEN1KMT2AALDH1A1
SCHEMBL9640555 0.84 CYP1A2 (0.38) CYP1A2CYP2D6MEN1KMT2AALDH1A1
SCHEMBL11793317 0.82 THRA (0.35) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL18469963 0.80 NCF1 (0.34) ALDH1A1
SCHEMBL9641453 0.80 CYP1A2 (0.36) CYP1A2CYP2D6MEN1KMT2AALDH1A1
SCHEMBL10170019 0.79 ADH1A (0.39) CYP2D6MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL15285544 0.79 EPHX1 (0.37) CYP1A2CYP2D6MEN1KMT2AALDH1A1
SCHEMBL522366 0.78 LTA4H (0.37) CYP1A2CYP2D6ALDH1A1ADH1AADH1C

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
US-4024324-A Novel polyolefin composition of matter UOP INC. (US) 1977-05-17 US disclosed