SCHEMBL29329238

SCHEMBL29329238

COc1ccc(C(OCc2cc(CO)cc(NC(=O)CC=O)c2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 5/20 0.41
PLAU P00749 1/20 0.40
ELANE P08246 1/20 0.40
MEN1 O00255 3/20 0.40
NLRP3 Q96P20 2/20 0.39
POLB P06746 3/20 0.38
NPC1 O15118 2/20 0.38
KLK7 P49862 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
USP2 O75604 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL29329256 0.89 MAPT (0.44) ALDH1A1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL29329240 0.88 ALDH1A1 (0.44) ALDH1A1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL28346466 0.84 KMT2A (0.47) ALDH1A1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL19463055 0.83 HDAC8 (0.47) ALDH1A1MAPTL3MBTL1KMT2ALMNA
Lithium Ion SCHEMBL19464083 0.82 KMT2A (0.44) ALDH1A1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL29329260 0.80 TSHR (0.47) ALDH1A1RAB9AKMT2APLAUELANE
SCHEMBL2367563 0.78 BACE1 (0.42) ALDH1A1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL19689391 0.78 KIF11 (0.38) SMN1; SMN2PLAUELANELMNAHTT
SCHEMBL19463046 0.78 KIF11 (0.43) RAB9ANPC1
SCHEMBL16618219 0.78 CYP1A2 (0.38) SMN1; SMN2KMT2APLAUELANELMNA

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
US-12043833-B2 Targeted compositions ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-23 US disclosed