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SCHEMBL20253264

SCHEMBL20253264

CCCCC(CC)COC(=O)c1cc2c(C)sc(-c3ccc(-c4sc(-c5cc6c(OCC(CC)CCCC)c7sc(C)cc7c(OCC(CC)CCCC)c6s5)c5cc(C(=O)OCC(CC)CCCC)sc45)c4nsnc34)c2s1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CA2 P00918 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ PRSS3 P35030 1/20 0.31

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
SCHEMBL20253230 0.96 PRSS1 (0.34) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL20253227 0.90 ALDH1A1 (0.37) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL16884884 0.86 ALDH1A1 (0.39) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL20253242 0.82 — —
SCHEMBL20253255 0.78 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL11991197 0.78 ALDH1A1 (0.30) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL20253233 0.77 ALDH1A1 (0.36) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL20253254 0.77 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL20253229 0.77 PRSS1 (0.33) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL15979523 0.77 — —

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-20180166633-A1 COPOLYMER AND ORGANIC SOLAR CELL COMPRISING SAME LG CHEM, LTD. (KR) 2018-06-14 — — US disclosed