SCHEMBL9626007

SCHEMBL9626007

C/C=C\c1ccccc1OCCCCCOc1ccccc1/C=C\C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.45
NFE2L2 Q16236 4/20 0.44
TRPA1 O75762 1/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42

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
SCHEMBL9625931 1.00 MEN1 (0.49) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL9722020 0.94 SMN1; SMN2 (0.50) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL9722015 0.94 SMN1; SMN2 (0.50) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL29362256 0.93 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL15378255 0.93 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL8239675 0.90 MEN1 (0.49) MEN1KMT2AHPGDL3MBTL1CDK4
SCHEMBL29673014 0.89 CYP1A2 (0.55) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL8416664 0.87 MEN1 (0.46) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL8415662 0.87 MEN1 (0.46) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL25117781 0.86 MEN1 (0.48) MEN1KMT2AALDH1A1HPGDSMN1; SMN2

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-0469684-A1 Polyimide compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-02-05 EP disclosed