SCHEMBL31098426

SCHEMBL31098426

CCC(O)COc1ccc(C(C)(C)CC)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.52
▸ HTT P42858 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ AR P10275 1/20 0.50
▸ MAPT P10636 3/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ HRH3 Q9Y5N1 6/20 0.46
▸ MAOB P27338 5/20 0.46
▸ POLB P06746 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL15677149 0.89 AR (0.64) RECQLHTTHIF1AARMAPT
SCHEMBL31098425 0.86 LMNA (0.59) HTTHIF1AARMAPTNPC1
SCHEMBL11964790 0.86 HTT (0.67) HTTHIF1AARMAPTNPC1
SCHEMBL28000798 0.85 LMNA (0.55) RECQLHTTHIF1AARMAPT
SCHEMBL12789564 0.85 HTT (0.65) HTTHIF1AARMAPTNPC1
SCHEMBL29620677 0.84 MAPT (0.57) HTTHIF1AMAPTLMNAPOLB
SCHEMBL7165673 0.81 HTT (0.44) RECQLHTTHIF1AARMAPT
SCHEMBL24046837 0.81 HTT (0.60) RECQLHTTHIF1AARMAPT
SCHEMBL17024094 0.81 NPC1 (0.45) RECQLHTTHIF1AARMAPT
SCHEMBL20851321 0.81 HTT (0.60) HTTHIF1AARMAPTLMNA

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
CN-118666717-A Phenyl ether sulfite compound and preparation method and application thereof 南开大学 2024-09-20 — — CN disclosed
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