SCHEMBL7922196

SCHEMBL7922196

OC12CCCCC1(O)CC1CCCCC1C2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.35
ATP1A1 P05023 9/20 0.35
ATP1B1 P05026 9/20 0.35
ATP1A3 P13637 9/20 0.35
ATP1B2 P14415 9/20 0.35
ATP1A2 P50993 9/20 0.35
ATP1B3 P54709 9/20 0.35
FXYD2 P54710 9/20 0.35
ATP1A4 Q13733 9/20 0.35

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
SCHEMBL7246207 1.00 ALDH1A1 (0.37) ALDH1A1HSD17B10ATP1A1ATP1B1ATP1A3
SCHEMBL7246576 0.77 ATP1A1 (0.31) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7245566 0.77 ATP1A1 (0.31) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7924904 0.77 HSD17B10 (0.37) HSD17B10
SCHEMBL28497691 0.74 ALDH1A1 (0.40) ALDH1A1HSD17B10ATP1A1ATP1B1ATP1A3
SCHEMBL9795435 0.70 TSHR (0.46)
SCHEMBL22209073 0.70 ALDH1A1 (0.42) ALDH1A1HSD17B10ATP1A1ATP1B1ATP1A3
SCHEMBL29758996 0.69 ALDH1A1 (0.39) ALDH1A1
SCHEMBL16512314 0.69 ALDH1A1 (0.39) ALDH1A1HSD17B10ATP1A1ATP1B1ATP1A3
SCHEMBL9815757 0.69 ALDH1A1 (0.32) ALDH1A1

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
US-6218569-B1 CATALYTIC ESTERIFICATION REACTION OF ALICYCLIC ALCOHOL AND UNSATURATED CARBOXYLIC ACID; PHOTOSENSITIVITY DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-17 US disclosed
EP-1057806-A1 POLYMERIZABLE ALICYCLIC ESTERS AND PROCESS FOR PRODUCING THE SAME Daicel Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed