SCHEMBL7978591

SCHEMBL7978591

O=C(C1COc2ccccc2O1)N1CCN(CCO)CC1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.75
ALDH1A1 P00352 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
HPGD P15428 2/20 0.69
TSHR P16473 1/20 0.64
GAA P10253 3/20 0.62
AIMP2 Q13155 2/20 0.62
MAPK1 P28482 2/20 0.61
POLB P06746 3/20 0.60
NPC1 O15118 1/20 0.60
TDP1 Q9NUW8 1/20 0.58
THRB P10828 1/20 0.57
CYP3A4 P08684 1/20 0.53
ALOX12 P18054 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL13202892 0.84 ALDH1A1 (0.76) KMT2AALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL18171334 0.84 AIMP2 (0.81) KMT2AALDH1A1SMN1; SMN2HPGDTSHR
Hydrochloric Acid SCHEMBL18171335 0.82 AIMP2 (0.80) KMT2AALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL4136572 0.82 ALDH1A1 (0.78) KMT2AALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL10167539 0.81 ALDH1A1 (0.97) KMT2AALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL3355450 0.80 KMT2A (0.73) KMT2AALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL3126859 0.79 ALDH1A1 (0.76) KMT2AALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL610143 0.79 ALDH1A1 (0.76) KMT2AALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL5477425 0.78 ALDH1A1 (0.62) KMT2AALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL12593464 0.77 ALDH1A1 (0.74) KMT2AALDH1A1SMN1; SMN2HPGDTSHR

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-6313294-B1 Process for preparing amides DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2001-11-06 US disclosed