SCHEMBL17285155

SCHEMBL17285155

S=P(OC1CCCCC1)(OC1CCCCC1)OC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
GLA P06280 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
MGLL Q99685 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL8057482 0.85 ACHE (0.38) ACHECA1CA2CA12CA9
SCHEMBL29351118 0.85 ACHE (0.42) ACHECA1CA2CA12CA9
SCHEMBL5852300 0.81 ACHE (0.34) ACHECA1CA2CA12CA9
SCHEMBL9875321 0.79 ACHE (0.38) ACHEMEN1KMT2A
SCHEMBL6238350 0.78 ACHE (0.40) ACHECA1CA2CA12CA9
SCHEMBL8146764 0.78 ACHE (0.40) ACHECA1CA2CA12CA9
SCHEMBL8139364 0.78 ACHE (0.40) ACHECA1CA2CA12CA9
SCHEMBL3069630 0.78 ACHE (0.40) ACHECA1CA2CA12CA9
SCHEMBL8057479 0.78 ACHE (0.40) ACHECA1CA2CA12CA9
SCHEMBL3071494 0.78 ACHE (0.40) ACHECA1CA2CA12CA9

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-20150337231-A1 LUBRICANT OIL COMPOSITION FOR ROTARY COMPRESSOR IDEMITSU KOSAN CO., LTD. (JP) 2015-11-26 US disclosed