SCHEMBL26372467

SCHEMBL26372467

CCC(C)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
KCNH2 Q12809 1/20 0.43
ATM Q13315 1/20 0.42
HPGD P15428 3/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
TRPA1 O75762 1/20 0.37

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
SCHEMBL19356153 1.00 PGR (0.43) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL16116878 0.84 PGR (0.41) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL19098526 0.82 LMNA (0.46) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL11091499 0.80 AAK1 (0.39) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL30762086 0.80 CES2 (0.41) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL14588962 0.78 PPARG (0.44) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL14368337 0.78 ALDH1A1 (0.44) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL11854840 0.77 ALDH1A1 (0.38) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL12891801 0.76 PGR (0.35) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL381892 0.75 AAK1 (0.48) PGRADRA2AADRA2BHTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838890-B1 METHOD FOR PREPARING 18F-BPA AND INTERMEDIATE NEUBORON MEDTECH LTD (CN) 2023-10-04 EP disclosed