SCHEMBL29329260

SCHEMBL29329260

COc1ccc(C(OCc2cc(CO)cc(CNC(=O)CCC(=O)O)c2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
TACR1 P25103 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.40
PLAU P00749 1/20 0.40
ELANE P08246 1/20 0.40
ADORA3 P0DMS8 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
SCHEMBL28349111 0.93 ALDH1A1 (0.48) TSHRALDH1A1NPC1MEN1KMT2A
SCHEMBL29329258 0.93 TSHR (0.46) TSHRALDH1A1NPC1LMNAMEN1
SCHEMBL30910300 0.89 ALDH1A1 (0.47) TSHRALDH1A1NPC1MEN1KMT2A
SCHEMBL19463711 0.89 ALDH1A1 (0.47) TSHRALDH1A1NPC1MEN1KMT2A
Lithium Ion SCHEMBL19463291 0.87 ALDH1A1 (0.46) TSHRALDH1A1NPC1MEN1KMT2A
Lithium Ion SCHEMBL30910318 0.87 ALDH1A1 (0.46) TSHRALDH1A1NPC1MEN1KMT2A
SCHEMBL29329256 0.82 MAPT (0.44) ALDH1A1NPC1MEN1KMT2AUSP2
SCHEMBL28346466 0.82 KMT2A (0.47) TSHRALDH1A1NPC1LMNAMEN1
SCHEMBL29329238 0.80 ALDH1A1 (0.42) ALDH1A1NPC1LMNAMEN1KMT2A
SCHEMBL29329240 0.80 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AUSP2RAB9A

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