SCHEMBL5350992

SCHEMBL5350992

COC(=O)c1ccc2cc(C=CC(=O)OC(C)(C)C)n(Cc3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
CFTR P13569 2/20 0.42
CNR2 P34972 1/20 0.41
S1PR3 Q99500 1/20 0.40
ACSS2 Q9NR19 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DRD2 P14416 1/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL5350983 1.00 MAPT (0.43) MAPTTHRBCFTRCNR2S1PR3
SCHEMBL5427985 0.86 CCR2 (0.43) MAPTMTNR1AMTNR1B
SCHEMBL5427991 0.86 CCR2 (0.43) MAPTMTNR1AMTNR1B
SCHEMBL5359096 0.85 CCR2 (0.49) MAPTHDAC1HDAC6KMT2AKDM4E
SCHEMBL5363418 0.85 CCR2 (0.49) MAPTHDAC1HDAC6KMT2AKDM4E
SCHEMBL5372569 0.82 SRD5A2 (0.43) S1PR3ACSS2KMT2AKDM4EMTNR1A
SCHEMBL5369798 0.82 SRD5A2 (0.43) S1PR3ACSS2KMT2AKDM4EMTNR1A
SCHEMBL5358101 0.79 FDPS (0.40) MAPTKMT2AKDM4ESMN1; SMN2NR1H4
SCHEMBL5358104 0.79 FDPS (0.40) MAPTKMT2AKDM4ESMN1; SMN2NR1H4
SCHEMBL5362181 0.76 MEN1 (0.42) MAPTKMT2AKDM4ESMN1; SMN2NR1H4

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
WO-2007134421-A1 2-VINYL INDOLES, PYRIDO AND AZEPINO INDOLE DERIVATIVES, 2-ALKYNYL INDOLES, 2-ALKYNYL BENZO[b]FURANS, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2007-11-29 WO disclosed