SCHEMBL2278236

SCHEMBL2278236

NCCB(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
LTA4H P09960 3/20 0.45
PLA2G2A P14555 1/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
TRPM2 O94759 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KCNA3 P22001 1/20 0.41
HRH1 P35367 1/20 0.38
KIF11 P52732 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
SCHEMBL4264037 0.77 LTA4H (0.45) TAAR1LTA4HALDH1A1KCNA3HRH1
SCHEMBL14983318 0.74 LTA4H (0.52) LTA4HALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL465983 0.74 TAAR1 (0.54) TAAR1LTA4HPLA2G2AKDM4EALDH1A1
SCHEMBL6660834 0.72 TAAR1 (0.52) TAAR1LTA4HPLA2G2AKDM4EALDH1A1
SCHEMBL7416230 0.71 KCNA3 (0.44) TAAR1LTA4HALDH1A1TSHRKCNA3
SCHEMBL93572 0.71 TAAR1 (0.50) TAAR1LTA4HPLA2G2AKDM4EALDH1A1
SCHEMBL28466216 0.70 KDM4E (0.58) TAAR1LTA4HPLA2G2AKDM4EALDH1A1
Monoethanolamine SCHEMBL4159313 0.70 ALDH1A1 (0.43) TAAR1LTA4HPLA2G2AKDM4EALDH1A1
SCHEMBL43067 0.69 TAAR1 (1.00) TAAR1LTA4HPLA2G2AKDM4EALDH1A1
Bromide SCHEMBL2762682 0.67 TAAR1 (0.95) TAAR1LTA4HPLA2G2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110189310-A1 SMALL MOLECULE MODULATORS OF PRONGF UPTAKE CORNELL UNIVERSITY (US) 2011-08-04 US claimed
WO-2010042728-A1 SMALL MOLECULE MODULATORS OF PRONGF UPTAKE CORNELL UNIVERSITY (US) 2010-04-15 WO claimed
US-20110189310-A1 SMALL MOLECULE MODULATORS OF PRONGF UPTAKE CORNELL UNIVERSITY (US) 2011-08-04 US disclosed
WO-2010042728-A1 SMALL MOLECULE MODULATORS OF PRONGF UPTAKE CORNELL UNIVERSITY (US) 2010-04-15 WO disclosed