SCHEMBL14088158

SCHEMBL14088158

CCC(C)c1ccc(CC(=O)OC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
KLK7 P49862 11/20 0.47
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FAAH O00519 1/20 0.41

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
SCHEMBL14088113 0.89 TSHR (0.54) TSHRKLK7ALDH1A1NPC1RAB9A
SCHEMBL4911331 0.83 CRHBP (0.69) TSHRCRHBPCRHR2KLK7ALDH1A1
SCHEMBL11375689 0.80 ESR1 (0.58) TSHRCRHBPCRHR2KLK7ALDH1A1
SCHEMBL11460504 0.79 KLK7 (0.64) TSHRCRHBPCRHR2KLK7ALDH1A1
SCHEMBL7525118 0.79 CRHBP (0.56) TSHRCRHBPCRHR2KLK7ALDH1A1
SCHEMBL10001830 0.79 TSHR (0.49) TSHRALDH1A1NPC1RAB9A
SCHEMBL14088215 0.78 TSHR (0.44) TSHRKLK7ALDH1A1NPC1RAB9A
SCHEMBL14088160 0.78 TSHR (0.44) TSHRKLK7ALDH1A1NPC1RAB9A
SCHEMBL14088110 0.77 TDP1 (0.47) TSHRKLK7ALDH1A1NPC1RAB9A
SCHEMBL10174246 0.76 ALDH1A1 (0.57) TSHRALDH1A1NPC1RAB9AGAA

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-20080193878-A1 RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-08-14 US disclosed