SCHEMBL27437403

SCHEMBL27437403

CC(C)OC(C)C(=O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
EPHX1 P07099 1/20 0.34
RECQL P46063 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP2 P08253 2/20 0.34
CA9 Q16790 2/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL21398839 0.76 CES2 (0.34) CES2CES1HDAC8HDAC6TSHR
SCHEMBL27375296 0.75 TSHR (0.41) CES2CES1HDAC8HDAC6TSHR
SCHEMBL1228934 0.75 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL11714520 0.75 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL2600359 0.75 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL16674533 0.75 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL10904410 0.74 CES2 (0.44) CES2CES1HDAC8HDAC6TSHR
SCHEMBL10904409 0.74 CES2 (0.44) CES2CES1HDAC8HDAC6TSHR
SCHEMBL14490223 0.73 CES2 (0.48) CES2CES1HDAC8HDAC6TSHR
SCHEMBL5788863 0.73 CES2 (0.48) CES2CES1HDAC8HDAC6TSHR

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-12032290-B2 Actinic ray-sensitive or radiation-sensitive resin composition, resist film, pattern forming method, and method for manufacturing electronic device FUJIFILM CORPORATION (JP) 2024-07-09 US disclosed