Sugi Predict

Sugi Predict / Compounds / SCHEMBL19821975

SCHEMBL19821975

SCHEMBL19821975

CCC(C)OCCCNC(=O)NC(=O)NC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 2/20 0.39
▸ EPHX2 P34913 2/20 0.38
▸ MAPT P10636 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ EPHX1 P07099 4/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL26363437 0.92 ALDH1A1 (0.42) ALDH1A1TSHREPHX2MAPTHSD17B10
SCHEMBL19821963 0.82 EPHX2 (0.39) TSHREPHX2MAPTHSD17B10EPHX1
SCHEMBL19821894 0.78 MAPK1 (0.48) ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL26417182 0.77 ALDH1A1 (0.44) ALDH1A1TSHREPHX2L3MBTL1
SCHEMBL13853552 0.76 ALDH1A1 (0.59) ALDH1A1TSHREPHX2HSD17B10TDP1
SCHEMBL15362263 0.73 ZDHHC20 (0.53) ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL18647980 0.72 MEN1 (0.54) ALDH1A1TDP1EPHX1
SCHEMBL22282337 0.72 MEN1 (0.54) ALDH1A1TDP1EPHX1
SCHEMBL19822025 0.72 EPHX1 (0.41) TSHREPHX2MAPTHSD17B10POLB
SCHEMBL15510884 0.72 EPHX1 (0.37) ALDH1A1EPHX1

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-20180030175-A1 POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-01 — — US disclosed