SCHEMBL9106831

SCHEMBL9106831

CCCCCC(CCC)COC(=O)C1CCC(CCCCC)(C(=O)OCC(CCC)CCCCC)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9106833 0.91 PRSS1 (0.33) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL1295951 0.83 TSHR (0.41) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL1296903 0.79 TSHR (0.42) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL1297244 0.78 ZDHHC7 (0.40) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL1297164 0.78 PRSS1 (0.38) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL1297312 0.78 PRSS1 (0.38) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL1297655 0.78 PPM1B (0.38) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL1297743 0.78 CYP3A4 (0.51) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL1297436 0.78 NAAA (0.40) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL1298128 0.78 PRSS1 (0.38) PRSS1PRSS2PRSS3TSHRCYP3A4

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-20120138206-A1 ADHESIVES AND SEALANTS CONTAINING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF SE (DE) 2012-06-07 US disclosed