SCHEMBL31664510

SCHEMBL31664510

CCCCCCOCCCC(=O)N(C)C

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
CES2 O00748 5/20 0.50
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.48
DNM1 Q05193 1/20 0.43
NAAA Q02083 1/20 0.42
DGKA P23743 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
CES1 P23141 3/20 0.40
PLA2G4B P0C869 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA4 P43681 1/20 0.40
EPHX1 P07099 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
KDM5A P29375 1/20 0.40

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
SCHEMBL31664494 0.98 ALDH1A1 (0.65) ALDH1A1CES2MEN1THRBHTT
SCHEMBL27365691 0.96 ALDH1A1 (0.63) ALDH1A1CES2MEN1THRBHTT
SCHEMBL120021 0.92 ALDH1A1 (0.57) ALDH1A1CES2MEN1THRBHTT
SCHEMBL17200857 0.92 ALDH1A1 (0.57) ALDH1A1CES2MEN1THRBHTT
SCHEMBL22734125 0.92 ALDH1A1 (0.57) ALDH1A1CES2MEN1THRBHTT
SCHEMBL22734126 0.92 ALDH1A1 (0.57) ALDH1A1CES2MEN1THRBHTT
SCHEMBL117693 0.92 ALDH1A1 (0.57) ALDH1A1CES2MEN1THRBHTT
SCHEMBL31664526 0.92 ALDH1A1 (0.68) ALDH1A1CES2MEN1THRBHTT
SCHEMBL1374362 0.90 ALDH1A1 (0.59) ALDH1A1CES2MEN1THRBHTT
SCHEMBL31664506 0.88 ALDH1A1 (0.61) ALDH1A1CES2MEN1THRBHTT

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-20250236812-A1 CLEANING AGENT COMPOSITION FOR SEMICONDUCTOR CLEANING, AND METHOD OF CLEANING SEMICONDUCTOR SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-07-24 US disclosed