SCHEMBL31063263

SCHEMBL31063263

COc1ccc(COC(C)C)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 1/20 0.44
OPRK1 P41145 1/20 0.44
KMT2A Q03164 2/20 0.43
DBH P09172 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
GFER P55789 1/20 0.42
MAPK1 P28482 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL19129605 0.84 CA2 (0.59) ALDH1A1KDM4EKMT2AMEN1
SCHEMBL30526544 0.82 MAPT (0.54) MAPTSMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL4696875 0.82 MAPT (0.54) MAPTSMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL27709205 0.79 CA2 (0.48) SMN1; SMN2ALDH1A1KDM4EHTTGAA
SCHEMBL21402282 0.79 ALOX15 (0.65) GAAKMT2AMEN1LMNATSHR
SCHEMBL12293826 0.79 HTT (0.53) MAPTSMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL15549114 0.77 CYP1A2 (0.41) ALDH1A1KDM4ETSHR
SCHEMBL15259675 0.77 CALM1 (0.55) MAPTSMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL1613836 0.77 MAPT (0.37) MAPT
SCHEMBL8294365 0.76 MAPT (0.49) MAPTSMN1; SMN2L3MBTL1ALDH1A1KDM4E

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-4665339-A1 INHIBITING ALPHA V BETA 8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 EP disclosed
WO-2024173570-A1 INHIBITING αvβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 WO disclosed