SCHEMBL5738726

SCHEMBL5738726

CC(=O)c1cccc(C(F)(F)F)c1.O=CCc1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.62
CES2 O00748 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
HTT P42858 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NR4A2 P43354 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ACP3 P15309 1/20 0.47
RAB9A P51151 1/20 0.46
SRD5A2 P31213 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 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
SCHEMBL39835 0.84 TAAR1 (0.56) MAOBCES2MEN1KMT2AALDH1A1
SCHEMBL30093723 0.84 CES2 (0.71) MAOBCES2MEN1KMT2AALDH1A1
SCHEMBL39834 0.84 CES2 (0.71) MAOBCES2MEN1KMT2AALDH1A1
SCHEMBL12253688 0.83 MAOB (0.50) MAOBMEN1KMT2AALDH1A1RAB9A
SCHEMBL13377016 0.79 DAO (0.50) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL10612843 0.77 CES2 (0.56) MAOBCES2MEN1KMT2AALDH1A1
SCHEMBL2610304 0.77 MAOB (0.67) MAOBCES2MEN1KMT2AHTT
Acetoacetic Acid SCHEMBL27759778 0.77 CES2 (0.56) MAOBCES2MEN1KMT2AALDH1A1
Toluene SCHEMBL27952197 0.76 MEN1 (0.61) MAOBCES2MEN1KMT2AALDH1A1
SCHEMBL6789638 0.75 MAOB (0.48) MAOBMEN1KMT2AALDH1A1HTT

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-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 WO disclosed