SCHEMBL31035696

SCHEMBL31035696

COc1cc(Br)cc(C(OC)OC)c1I

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
NQO2 P16083 2/20 0.33
APP P05067 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
PIM1 P11309 1/20 0.31
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PRNP P04156 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL8158740 0.80 ERN1 (0.44) ERN1ALOX15ALOX12NQO2APP
SCHEMBL31035737 0.79 GABRA1 (0.32) GABRA1GABRB1
SCHEMBL31035106 0.78 APLNR (0.35) GABRA1GABRB1ALDH1A1
SCHEMBL17515971 0.74 ERN1 (0.40) ERN1ALOX15ALOX12NQO2APP
SCHEMBL1321414 0.73 KDM4E (0.39) TSHR
SCHEMBL19468429 0.72 NQO2 (0.44) ERN1ALOX15ALOX12NQO2APP
SCHEMBL27229037 0.71 HTR1A (0.44) HTR1AHTR2AHTR2CHTR2BCYP1A2
SCHEMBL15821778 0.71 ERN1 (0.38) ERN1ALOX15ALOX12NQO2APP
SCHEMBL16269387 0.71 ERN1 (0.38) ERN1ALOX15ALOX12NQO2APP
SCHEMBL31035705 0.69 CA1 (0.41) ALOX15ALOX12APPALDH1A1MAPT

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-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed