SCHEMBL31035378

SCHEMBL31035378

COc1cc(Br)cc(C=O)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.51
PRKDC P78527 2/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
IGF1R P08069 1/20 0.34
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CSF1R P07333 1/20 0.32
PIM1 P11309 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
SCHEMBL17010281 0.83 ERN1 (0.51) ERN1PRKDCALDH1A1KDM4ETSHR
SCHEMBL31404991 0.79 NQO2 (0.36) ERN1ALDH1A1MAPTALOX15CSF1R
SCHEMBL24062034 0.77 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRTDP1LMNA
SCHEMBL3446606 0.77 ERN1 (0.49) ERN1ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL17010225 0.72 IMPDH2 (0.34) ERN1ALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL23121707 0.72 ALDH1A1 (0.53) ERN1PRKDCALDH1A1KDM4ETSHR
SCHEMBL16475647 0.71 ERN1 (0.68) ERN1PRKDCALDH1A1CYP1A2CYP2C19
SCHEMBL552983 0.71 CSF1R (0.45) ERN1PRKDCALDH1A1KDM4ETSHR
SCHEMBL7513399 0.71 ALDH1A1 (0.50) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL5899744 0.70 CA1 (0.38) ERN1ALDH1A1CYP1A2KDM4ETDP1

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