SCHEMBL20144650

SCHEMBL20144650

CC(C)(C)CC(C)(C(=O)NCCNC(=O)C1CCCCC1C(=O)O)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.46
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CASP1 P29466 1/20 0.43
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.38
GRM4 Q14833 1/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL18757137 0.86 TAAR1 (0.48) TAAR1HSD17B10ALDH1A1CASP1GLA
SCHEMBL20144587 0.82 TAAR1 (0.32) TAAR1HSD17B10ALDH1A1CASP1SMN1; SMN2
SCHEMBL19141512 0.82 TAAR1 (0.44) TAAR1HSD17B10ALDH1A1CASP1GLA
SCHEMBL20144561 0.81 CTSB (0.35) TAAR1HSD17B10ALDH1A1LMNA
SCHEMBL18757026 0.81 TAAR1 (0.41) TAAR1HSD17B10ALDH1A1CASP1GLA
SCHEMBL13677440 0.79 TAAR1 (0.49) TAAR1HSD17B10ALDH1A1CASP1GLA
SCHEMBL10110680 0.79 TAAR1 (0.49) TAAR1HSD17B10ALDH1A1CASP1GLA
SCHEMBL18757158 0.78 TAAR1 (0.53) TAAR1HSD17B10ALDH1A1CASP1GLA
SCHEMBL19141813 0.75 TAAR1 (0.56) TAAR1HSD17B10ALDH1A1CASP1GLA
SCHEMBL18757213 0.74 EPHX2 (0.31)

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
EP-2102708-B1 CURABLE COMPOSITION, COLOR FILTER, AND MANUFACTURING METHOD OF THE SAME FUJIFILM CORP (JP) 2018-05-16 EP disclosed