SCHEMBL9542191

SCHEMBL9542191

CN(C)CCCOc1cccc2c1C(=O)c1c(O)cccc1C2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
TSHR P16473 2/20 0.53
MAPK1 P28482 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
MAOB P27338 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KCNA3 P22001 1/20 0.49
EGFR P00533 1/20 0.49
PIM1 P11309 1/20 0.49
KDM4E B2RXH2 2/20 0.46
ELANE P08246 6/20 0.46

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
SCHEMBL9539542 0.93 ALDH1A1 (0.54) MAOAALDH1A1MAPTTSHRMAPK1
SCHEMBL11604034 0.86 KCNA3 (0.65) ALDH1A1MAPTMAPK1TDP1LMNA
Hydrochloric Acid SCHEMBL11604535 0.85 KCNA3 (0.63) ALDH1A1MAPTMAPK1TDP1LMNA
SCHEMBL9539600 0.83 ELANE (0.53) KCNA3KDM4EELANECTSGHTR1B
Hydrochloric Acid SCHEMBL9538665 0.81 ELANE (0.51) KCNA3KDM4EELANECTSG
Hydrochloric Acid SCHEMBL9542178 0.81 ELANE (0.51) KCNA3KDM4EELANECTSG
SCHEMBL16076554 0.81 MAOA (0.56) MAOAALDH1A1MAPTTSHRMAPK1
SCHEMBL28581642 0.81 MAOA (0.59) MAOAALDH1A1MAPTTSHRMAPK1
SCHEMBL9539629 0.80 MEN1 (0.51) MAOAALDH1A1MAPTTDP1HPGD
Hydrochloric Acid SCHEMBL11606266 0.78 KCNA3 (0.61) ALDH1A1MAPTMAPK1TDP1LMNA

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
WO-1993005054-A1 OXAZAPHOSPHORINES USEFUL AS ANTITUMOR AGENTS, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1993-03-18 WO disclosed