SCHEMBL28778178

SCHEMBL28778178

CCCCCCCCCCCCCCCCOC(=O)c1ccc2c3ccc(C(=O)O)c4c(C(=O)O)ccc(c5ccc(C(=O)O)c1c52)c43

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
TSHR P16473 5/20 0.59
LMNA P02545 3/20 0.59
MAPK1 P28482 3/20 0.56
CYP3A4 P08684 2/20 0.56
TP53 P04637 1/20 0.56
KDM4E B2RXH2 4/20 0.52
POLB P06746 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4A O75164 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL28778197 1.00 ALDH1A1 (0.59) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL28186430 1.00 ALDH1A1 (0.59) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL28675329 1.00 ALDH1A1 (0.59) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL16516492 0.94 TSHR (0.57) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL28778181 0.94 TSHR (0.57) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL28101677 0.94 ALDH1A1 (0.66) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL27137505 0.94 ALDH1A1 (0.66) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL28778191 0.91 TSHR (0.50) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL16515955 0.90 TSHR (0.53) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL16351290 0.89 ALDH1A1 (0.48) ALDH1A1TSHRLMNAMAPK1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114686204-A Quantum dot composite material, preparation method thereof and quantum dot light-emitting diode TCL科技集团股份有限公司 2022-07-01 CN claimed
CN-114686204-A Quantum dot composite material, preparation method thereof and quantum dot light-emitting diode TCL科技集团股份有限公司 2022-07-01 CN disclosed