SCHEMBL9694496

SCHEMBL9694496

CCONOc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.43
CA4 P22748 1/20 0.39
HTR1B P28222 2/20 0.38
HTR1D P28221 1/20 0.38
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
CRHBP P24387 1/20 0.36
RAB9A P51151 1/20 0.36
CRHR2 Q13324 1/20 0.36
KCNA3 P22001 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNA4 P43681 2/20 0.35
RELA Q04206 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAOA P21397 1/20 0.34

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 SCHEMBL3429887 0.98 LTA4H (0.42) LTA4HCA4HTR1BHTR1DTSHR
SCHEMBL11296171 0.78 HTR2A (0.42) TSHRMAOA
SCHEMBL1790430 0.77 LTA4H (0.50) LTA4HCA4HTR1BHTR1DTSHR
SCHEMBL27445632 0.76 TSHR (0.46) TSHRNPC1RAB9AL3MBTL1MAOA
Hydrochloric Acid SCHEMBL29091986 0.75 LTA4H (0.47) LTA4HCA4HTR1BHTR1DTSHR
SCHEMBL21328562 0.75 LTA4H (0.47) LTA4HCA4HTR1BHTR1DTSHR
SCHEMBL2121426 0.75 LTA4H (0.47) LTA4HCA4HTR1BHTR1DTSHR
SCHEMBL22200427 0.73 CA4 (0.50) LTA4HCA4HTR1BHTR1DTSHR
Hydrochloric Acid SCHEMBL2451642 0.72 ALDH1A1 (0.52) LTA4HHTR1BHTR1DNPC1HPGD
SCHEMBL507062 0.71 CA4 (0.42) LTA4HCA4HTR1BHTR1DTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5120849-A Reacting cyclic imidoether with aminoalcohol BASF AKTIENGESELLSCHAFT (DE) 1992-06-09 US disclosed
EP-0244786-B1 PROCESS FOR PREPARING 0-SUBSTITUTED HYDROXYLAMINES BASF Aktiengesellschaft (DE) 1991-03-06 EP disclosed
EP-0244786-A1 Process for preparing 0-substituted hydroxylamines BASF Aktiengesellschaft (DE) 1987-11-11 EP disclosed