SCHEMBL29329256

SCHEMBL29329256

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PLAU P00749 1/20 0.42
ELANE P08246 1/20 0.42
KMT2A Q03164 6/20 0.41
NLRP3 Q96P20 1/20 0.41
PPARD Q03181 1/20 0.40
MEN1 O00255 4/20 0.40
KLK7 P49862 1/20 0.40
NPC1 O15118 2/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL29329240 0.93 ALDH1A1 (0.44) MAPTRAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL28346466 0.89 KMT2A (0.47) MAPTRAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL29329238 0.89 ALDH1A1 (0.42) MAPTRAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL19463055 0.86 HDAC8 (0.47) MAPTALDH1A1L3MBTL1KMT2ACYP1A2
Lithium Ion SCHEMBL19464083 0.85 KMT2A (0.44) MAPTRAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL29329260 0.82 TSHR (0.47) RAB9AALDH1A1PLAUELANEKMT2A
SCHEMBL19463046 0.81 KIF11 (0.43) RAB9ANPC1
SCHEMBL16618219 0.81 CYP1A2 (0.38) SMN1; SMN2PLAUELANEKMT2ACYP1A2
SCHEMBL2367563 0.81 BACE1 (0.42) MAPTRAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL19689391 0.81 KIF11 (0.38) SMN1; SMN2PLAUELANE

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