SCHEMBL9750102

SCHEMBL9750102

CCNS(=O)(=O)Nc1ccccc1C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
PTGS2 P35354 1/20 0.42
PTGES2 Q9H7Z7 2/20 0.38
ALOX15 P16050 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.34
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
LMNA P02545 3/20 0.33
PSIP1 O75475 1/20 0.33
POLB P06746 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL9177848 0.84 PTGS2 (0.44) PTGS2PTGES2PTGDR2KMT2AKDM4E
SCHEMBL23057137 0.70 MCOLN2 (0.52) PTGS2PTGES2KMT2AKDM4EPKM
SCHEMBL10179841 0.69 PTGS2 (0.48) PTGS2PTGES2PTGDR2KMT2AKDM4E
SCHEMBL20526580 0.69 CA2 (0.50) PTGS2
SCHEMBL7515266 0.68 HSD17B10 (0.49) PTGDR2KMT2ALMNAPOLBHDAC3
SCHEMBL9660227 0.68 MCOLN3 (0.53) PTGS2LMNAPOLB
SCHEMBL27736700 0.68 PTGDR2 (0.42) PTGS2PTGDR2KMT2AKDM4EHDAC3
SCHEMBL3790323 0.68 PTGDR2 (0.39) PTGS2PTGES2PTGDR2KMT2AKDM4E
SCHEMBL10814140 0.68 ALDH1A1 (0.52) ALOX15PTGDR2KMT2ATSHRLMNA
SCHEMBL5821254 0.68 PTGDR2 (0.46) PTGS2PTGDR2KMT2ATSHRHTR1D

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-5090964-A Colorfastness, good exhaustion CIBA-GEIGY CORPORATION (US) 1992-02-25 US disclosed