SCHEMBL7788971

SCHEMBL7788971

CC(=O)Nc1ccc(OCCCC[C@@H](C)N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
LMNA P02545 2/20 0.60
CYP1A2 P05177 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPT P10636 4/20 0.56
EPHX2 P34913 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRB3 P13945 1/20 0.51
OPRK1 P41145 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
S1PR1 P21453 2/20 0.51
S1PR3 Q99500 2/20 0.51
RAB9A P51151 1/20 0.50

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
SCHEMBL5679121 0.85 ALDH1A1 (0.56) KMT2AMEN1LMNACYP1A2TDP1
SCHEMBL5680933 0.85 ALDH1A1 (0.56) KMT2AMEN1LMNACYP1A2TDP1
SCHEMBL9570550 0.85 ALDH1A1 (0.75) KMT2AMEN1LMNACYP1A2TDP1
SCHEMBL9570672 0.85 ALDH1A1 (0.75) KMT2AMEN1LMNACYP1A2TDP1
Hydrochloric Acid SCHEMBL7616846 0.84 ALDH1A1 (0.55) KMT2AMEN1LMNACYP1A2TDP1
Hydrochloric Acid SCHEMBL5679229 0.84 ALDH1A1 (0.55) KMT2AMEN1LMNACYP1A2TDP1
Hydrochloric Acid SCHEMBL5679237 0.84 ALDH1A1 (0.55) KMT2AMEN1LMNACYP1A2TDP1
Hydrochloric Acid SCHEMBL7621659 0.84 ALDH1A1 (0.55) KMT2AMEN1LMNACYP1A2TDP1
SCHEMBL10802880 0.83 ALDH1A1 (0.77) KMT2AMEN1LMNACYP1A2TDP1
SCHEMBL9469780 0.81 KMT2A (0.63) KMT2AMEN1LMNACYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144348-A3 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2002-09-11 EP claimed
EP-1144348-A2 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2001-10-17 EP claimed
WO-2000017133-A2 LTA4 HYDROLASE INHIBITORS BIOPROJET (FR) 2000-03-30 WO claimed
EP-1144348-A3 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2002-09-11 EP disclosed
EP-1144348-A2 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2001-10-17 EP disclosed
WO-2000017133-A2 LTA4 HYDROLASE INHIBITORS BIOPROJET (FR) 2000-03-30 WO disclosed