SCHEMBL3873437

SCHEMBL3873437

C=C(C)C(=O)OC(C)CC1CCC(O)C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CTSK P43235 8/20 0.34
CTSL P07711 5/20 0.33
CTSB P07858 5/20 0.33
CTSH P09668 4/20 0.32
CYP3A4 P08684 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL14294475 0.89 TSHR (0.38) TSHRALDH1A1CTSKCTSLCTSB
SCHEMBL6721751 0.79 TSHR (0.35) TSHRCTSKCTSLCTSBCTSH
SCHEMBL463743 0.78 CTSK (0.36) TSHRALDH1A1CTSKCTSLCTSB
SCHEMBL4950381 0.75 ALDH1A1 (0.44) TSHRALDH1A1CTSKCTSLCTSB
SCHEMBL8393350 0.74 ALDH1A1 (0.42) TSHRALDH1A1
SCHEMBL970597 0.74 ALDH1A1 (0.54) TSHRALDH1A1CTSKCTSLCTSB
SCHEMBL12431464 0.71 TSHR (0.39) TSHRALDH1A1
SCHEMBL1820168 0.71 HSD11B1 (0.37) TSHRALDH1A1
SCHEMBL16326515 0.70 TSHR (0.35) TSHRALDH1A1
SCHEMBL91327 0.69 TSHR (0.36) TSHRALDH1A1CTSKCTSLCTSB

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-7521169-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-04-21 US disclosed
US-20060234153-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-10-19 US disclosed