SCHEMBL31056402

SCHEMBL31056402

COC(=O)c1cc(C2OCCO2)c(OCc2ccccc2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
SMPD1 P17405 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LRRK2 Q5S007 1/20 0.39
FOLH1 Q04609 1/20 0.39
FAAH O00519 1/20 0.39
CNR2 P34972 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL31056217 0.89 FOLH1 (0.48) PKMTDP1L3MBTL1MEN1KMT2A
SCHEMBL31056326 0.88 RAB9A (0.44) LMNAHPGDNPC1PKMRAB9A
SCHEMBL31056342 0.87 ALDH1A1 (0.47) LMNAHPGDNPC1PKMRAB9A
SCHEMBL17782343 0.83 SMPD1 (0.53) LMNAHPGDSMPD1HDAC1HDAC8
SCHEMBL31056108 0.82 HPGD (0.50) LMNAHPGDNPC1PKMRAB9A
SCHEMBL16101085 0.81 CTSV (0.49) LMNAHPGDNPC1SMPD1HDAC1
SCHEMBL24057095 0.80 SMPD1 (0.56) LMNAHPGDNPC1RAB9ASMPD1
SCHEMBL30577381 0.80 SMPD1 (0.56) LMNAHPGDNPC1RAB9ASMPD1
SCHEMBL18690310 0.80 SMPD1 (0.56) LMNAHPGDNPC1RAB9ASMPD1
SCHEMBL31056825 0.79 MCL1 (0.47) TDP1L3MBTL1FOLH1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed