SCHEMBL26713016

SCHEMBL26713016

C=C(C)COc1ccc(-c2ccc(OCCOC(=O)C(=C)C)cc2OCCOC(=O)C(=C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 5/20 0.45
▸ POLB P06746 2/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MAPT P10636 11/20 0.43
▸ MAPK1 P28482 6/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ KMT2A Q03164 12/20 0.42
▸ MEN1 O00255 9/20 0.42
▸ NPSR1 Q6W5P4 7/20 0.42
▸ LMNA P02545 5/20 0.42
▸ ALOX12 P18054 2/20 0.41
▸ TP53 P04637 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HPGD P15428 2/20 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
SCHEMBL16559838 0.88 POLB (0.44) HTTPOLBAPEX1TDP1KMT2A
SCHEMBL24440871 0.87 POLB (0.43) HTTPOLBAPEX1TDP1KMT2A
SCHEMBL15338931 0.86 POLB (0.51) HTTPOLBAPEX1TDP1MAPT
SCHEMBL19803990 0.86 TDP1 (0.43) HTTPOLBAPEX1TDP1MAPT
SCHEMBL16559829 0.85 POLB (0.47) HTTPOLBAPEX1TDP1KMT2A
SCHEMBL18494395 0.84 HTT (0.41) HTTPOLBAPEX1TDP1MAPT
SCHEMBL22845690 0.84 POLB (0.41) HTTPOLBAPEX1TDP1MAPT
SCHEMBL25936691 0.84 HTT (0.41) HTTPOLBAPEX1TDP1MAPT
SCHEMBL24440804 0.84 POLB (0.41) HTTPOLBAPEX1TDP1MAPT
SCHEMBL22459820 0.84 POLB (0.42) HTTPOLBAPEX1TDP1KMT2A

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
WO-2023209049-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-02 — — WO disclosed
WO-2023203043-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-10-26 — — WO disclosed
Send feedback