SCHEMBL8487205

SCHEMBL8487205

COc1ccc(CNOCC(O)CN2CCN(Cc3ccc(NC(=O)OCc4ccccc4)cc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.57
TSHR P16473 1/20 0.57
LMNA P02545 4/20 0.55
ALDH1A1 P00352 4/20 0.50
FAAH O00519 2/20 0.50
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TGM2 P21980 1/20 0.47
MEN1 O00255 1/20 0.47
CYP2D6 P10635 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
ACHE P22303 1/20 0.45

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
SCHEMBL8487208 0.78 MEN1 (0.47) HSD17B10TSHRLMNAALDH1A1FAAH
SCHEMBL8491628 0.77 CYP2D6 (0.48) LMNAALDH1A1FAAHKMT2AMEN1
SCHEMBL1223807 0.75 RAB9A (0.67) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL4884973 0.74 LMNA (0.54) HSD17B10LMNAALDH1A1FAAHKMT2A
SCHEMBL14197151 0.74 LMNA (0.54) HSD17B10LMNAALDH1A1FAAHKMT2A
SCHEMBL31043866 0.74 HIF1A (0.53) HSD17B10LMNAALDH1A1FAAHKMT2A
SCHEMBL8491622 0.73 CYP2D6 (0.49) HSD17B10TSHRLMNAALDH1A1KMT2A
SCHEMBL31044025 0.73 MAPT (0.59) HSD17B10TSHRLMNAALDH1A1FAAH
SCHEMBL31043824 0.73 LMNA (0.57) HSD17B10LMNAALDH1A1FAAHKMT2A
SCHEMBL13033243 0.73 SMN1; SMN2 (0.72) HSD17B10TSHRLMNAALDH1A1KMT2A

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
US-5929074-A VSODILATOR, ANTIALLERGIC AND ANTIPLATELET AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-27 US disclosed
US-5728702-A BRONCHODILATOR AGENTS, ANTIALLERGENS OR ANTIPLATELET DRUGGS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-17 US disclosed