SCHEMBL31035587

SCHEMBL31035587

COc1c(Br)ccc(O)c1C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.54
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
LCK P06239 1/20 0.44
GLA P06280 1/20 0.44
THRB P10828 1/20 0.44
LIMK1 P53667 1/20 0.44
LIMK2 P53671 1/20 0.44
TRIM24 O15164 2/20 0.41
TRIM33 Q9UPN9 2/20 0.41
HPGD P15428 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PRKDC P78527 1/20 0.39
TPMT P51580 1/20 0.39
LY96 Q9Y6Y9 1/20 0.37
TYR P14679 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
SCHEMBL5250735 0.85 ERN1 (0.59) ERN1CA1CA2ALDH1A1MAPT
SCHEMBL8735765 0.84 CA1 (0.55) ERN1CA1CA2ALDH1A1MAPT
SCHEMBL10923461 0.81 ERN1 (0.53) ERN1CA1CA2ALDH1A1MAPT
SCHEMBL31562444 0.79 CA1 (0.46) ERN1CA1CA2ALDH1A1MAPT
SCHEMBL5552745 0.79 ERN1 (0.61) ERN1ALDH1A1PRKDCAOX1
SCHEMBL30004272 0.79 ERN1 (0.47) ERN1CA1CA2ALDH1A1MAPT
SCHEMBL25290037 0.78 ERN1 (0.46) ERN1CA1CA2ALDH1A1MAPT
SCHEMBL29712219 0.78 ERN1 (0.46) ERN1CA1CA2ALDH1A1PRKDC
SCHEMBL10266008 0.78 ERN1 (0.46) ERN1CA1CA2ALDH1A1MAPT
SCHEMBL10920936 0.78 ALDH1A1 (0.46) ERN1CA1CA2ALDH1A1MAPT

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