SCHEMBL12837404

SCHEMBL12837404

CCC(C)SCC(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.59
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 1/20 0.57
TSHR P16473 2/20 0.55
MAPK1 P28482 1/20 0.51
MAPT P10636 4/20 0.50
HPGD P15428 2/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.50
G6PD P11413 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL16109367 0.77 SLC6A3 (0.68) HSD17B10ALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL18647875 0.77 MAPK1 (0.51) HSD17B10ALDH1A1KDM4ETSHRMAPK1
SCHEMBL13652653 0.76 HSD17B10 (0.67) HSD17B10ALDH1A1TSHRMAPK1MAPT
SCHEMBL103220 0.75 TSHR (0.57) HSD17B10ALDH1A1KDM4ETSHRMAPT
SCHEMBL7225647 0.75 TSHR (0.57) HSD17B10ALDH1A1KDM4ETSHRMAPT
SCHEMBL28637425 0.75 TSHR (0.64) HSD17B10ALDH1A1KDM4ETSHRMAPT
SCHEMBL9126255 0.75 L3MBTL1 (0.72) HSD17B10ALDH1A1KDM4ETSHRMAPK1
SCHEMBL30805754 0.75 CA1 (0.63) ALDH1A1KDM4ETSHRMAPTHPGD
SCHEMBL14539438 0.75 ALDH1A1 (0.50) HSD17B10ALDH1A1KDM4ETSHRMAPK1
SCHEMBL7544322 0.75 CA1 (0.63) ALDH1A1KDM4ETSHRMAPTHPGD

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-2302010-A1 Ink composition and method of producing a processed product of printed matter FUJIFILM Corporation (JP) 2011-03-30 EP disclosed