SCHEMBL22880378

SCHEMBL22880378

O=C1C=CC(=O)N1c1ccc(C(c2ccc(C3CCCCC3)cc2)c2ccc(N3C(=O)C=CC3O)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.37
HSP90AA1 P07900 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
CCR6 P51684 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
FAAH O00519 4/20 0.34
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APP P05067 1/20 0.33
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL22862067 0.87 MGLL (0.47) MGLLHSP90AA1TDP1ALDH1A1LMNA
SCHEMBL22862044 0.79 MGLL (0.55) MGLLHSP90AA1TDP1ALDH1A1FAAH
SCHEMBL23094941 0.78 MGLL (0.56) MGLLHSP90AA1TDP1ALDH1A1LMNA
SCHEMBL9180040 0.78 MGLL (0.56) MGLLHSP90AA1TDP1ALDH1A1LMNA
SCHEMBL22862121 0.76 MGLL (0.58) MGLLHSP90AA1TDP1ALDH1A1LMNA
SCHEMBL22862260 0.76 HSP90AA1 (0.49) MGLLHSP90AA1TDP1ALDH1A1LMNA
SCHEMBL22862145 0.74 MGLL (0.54) MGLLHSP90AA1TDP1ALDH1A1CACNA1B
SCHEMBL22862091 0.72 MGLL (0.41) MGLLHSP90AA1TDP1ALDH1A1CCR6
SCHEMBL22862073 0.71 MGLL (0.43) MGLLHSP90AA1TDP1ALDH1A1LMNA
SCHEMBL24173475 0.71 MGLL (0.47) MGLLHSP90AA1TDP1ALDH1A1LMNA

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
EP-3760611-A1 COMPOUND, RESIN, COMPOSITION AND FILM-FORMING MATERIAL FOR LITHOGRAPHY USING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-01-06 EP disclosed