SCHEMBL27772015

SCHEMBL27772015

Cc1cccc2[nH]cc(OC(=O)C(C)(C)C)c12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.44
ELANE P08246 5/20 0.43
SLC22A6 Q4U2R8 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NR4A2 P43354 1/20 0.38
CHEK1 O14757 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL27772016 0.84 FFAR1 (0.43) GPR84ELANESLC22A6KMT2ANR4A2
SCHEMBL28030915 0.84 ELANE (0.42) ELANESLC22A6ALDH1A1NR4A2CHEK1
SCHEMBL27772032 0.84 NR4A2 (0.52) GPR84ELANESLC22A6NR4A2CHEK1
SCHEMBL27708215 0.84 CYP2A6 (0.44) ELANESLC22A6NR4A2CHEK1HTR1D
SCHEMBL27920584 0.83 SLC22A6 (0.59) GPR84SLC22A6MEN1KMT2AMAPT
SCHEMBL27846785 0.81 ELANE (0.39) ELANESLC22A6MEN1KMT2AKDM4E
SCHEMBL27584085 0.80 ELANE (0.38) ELANESLC22A6MAPTALDH1A1NR4A2
SCHEMBL27892284 0.79 MTNR1A (0.41) ELANESLC22A6MEN1KMT2AMAPT
SCHEMBL27623623 0.77 SLC22A6 (0.69) GPR84ELANESLC22A6MAPTKDM4E
SCHEMBL27584057 0.77 BRPF1 (0.55) ELANESLC22A6MAPTKDM4EALDH1A1

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
CN-101495449-A 2-phenyl-indoles as prostaglandin D2 receptor antagonists SANOFI AVENTIS (FR) 2009-07-29 CN disclosed