SCHEMBL11018570

SCHEMBL11018570

C=C(CN1CCOCC1)C(=O)c1ccc(OC)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.65
GRIN1 Q05586 1/20 0.62
GRIN2B Q13224 1/20 0.62
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
TSHR P16473 1/20 0.52
HIF1A Q16665 1/20 0.52
EPAS1 Q99814 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
MITF O75030 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
USP2 O75604 1/20 0.50
ALOX12 P18054 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL11021483 0.85 GRIN1 (0.63) EGFRGRIN1GRIN2BALDH1A1KDM4E
SCHEMBL11019881 0.82 EGFR (0.59) EGFRALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL11019684 0.81 EGFR (0.69) EGFRGRIN1GRIN2BALDH1A1HIF1A
SCHEMBL11023598 0.77 KMT2A (0.60) EGFRALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL28614894 0.76 BLM (0.62) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL12123805 0.75 KMT2A (0.73) EGFRALDH1A1MAPTLMNAHTT
SCHEMBL3361764 0.74 MEN1 (0.47) EGFRALDH1A1TSHRHIF1ASMN1; SMN2
SCHEMBL8879210 0.74 SMN1; SMN2 (0.73) EGFRALDH1A1KDM4ESMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL7932179 0.74 KMT2A (0.75) EGFRALDH1A1MAPTLMNAHTT
Hydrochloric Acid SCHEMBL8842314 0.74 SMN1; SMN2 (0.60) ALDH1A1KDM4ETSHRHIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0156785-A1 2-(Aminoalkyl)-acrylophenones, their preparation and their use S.A.R.L. GALEPHAR (FR) 1985-10-02 EP claimed
EP-0156785-A1 2-(Aminoalkyl)-acrylophenones, their preparation and their use S.A.R.L. GALEPHAR (FR) 1985-10-02 EP disclosed