SCHEMBL9329328

SCHEMBL9329328

ON=Cc1ccccc1CC(O)CN1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.45
TSHR P16473 2/20 0.45
HIF1A Q16665 1/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ATM Q13315 1/20 0.41
GLA P06280 1/20 0.41
HSD17B10 Q99714 3/20 0.41
ACE2 Q9BYF1 1/20 0.41
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
RAB9A P51151 1/20 0.40
PLK1 P53350 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCB1 P08183 1/20 0.38

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
Hydrochloric Acid SCHEMBL11247703 0.84 ADRA2A (0.54) TSHRMEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL6548906 0.82 KMT2A (0.41) CYP2D6TSHRHIF1APOLBKDM4E
Hydrochloric Acid SCHEMBL11252784 0.82 SLC18A3 (0.55)
SCHEMBL6548347 0.78 MAPT (0.49) CYP2D6TSHRHIF1AKDM4EMEN1
SCHEMBL6548344 0.78 MAPT (0.49) CYP2D6TSHRHIF1AKDM4EMEN1
SCHEMBL11464360 0.75 CYP2D6 (0.44) CYP2D6TSHRHIF1APOLBKDM4E
SCHEMBL11324568 0.75 CYP2D6 (0.44) CYP2D6TSHRHIF1APOLBKDM4E
Hydrochloric Acid SCHEMBL11313451 0.74 KDM4E (0.45) CYP2D6TSHRHIF1APOLBKDM4E
Hydrochloric Acid SCHEMBL9329071 0.74 KDM4E (0.45) CYP2D6TSHRHIF1APOLBKDM4E
SCHEMBL5967992 0.71 TSHR (0.59) CYP2D6TSHRHIF1APOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328906-A 0-(3-amino-2-hydroxypropyl)-hydroximic acid halides and process for preparing the same BIOREX KUTATO-FEJLESZTO KFT (HU) 1994-07-12 US disclosed
US-5296606-A O-(3-amino-2-hydroxypropyl)-hydroximic acid halides and process for preparing the same BIOREX KUTATO-FEJLESZTO KFT (HU) 1994-03-22 US disclosed
EP-0417210-B1 NOVEL O-(3-AMINO-2-HYDROXYPROPYL)-HYDROXIMIC ACID HALIDES AND PROCESS FOR PREPARING THE SAME BIOREX KUTATO FEJLESZTOE KFT (HU) 1994-03-09 EP disclosed
US-5147879-A O-(3-AMINO-2-HYDROXYPROPYL)-HYDROXIMIC ACID HALIDES AND PROCESS FOR PREPARING THE SAME BIOREX KUTATO-FEJLESZTO KFT (HU) 1992-09-15 US disclosed
WO-1990004584-A1 NOVEL O-(3-AMINO-2-HYDROXYPROPYL)-HYDROXIMIC ACID HALIDES AND PROCESS FOR PREPARING THE SAME BIOREX KUTATÓ FEJLESZTO^' KFT. (HU) 1990-05-03 WO disclosed