SCHEMBL27772016

SCHEMBL27772016

CC(C)(C)C(=O)Oc1c[nH]c2cccc(F)c12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
ELANE P08246 6/20 0.42
HTR2A P28223 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
NR4A2 P43354 1/20 0.37
CHEK1 O14757 1/20 0.37
SLC6A4 P31645 2/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL27772015 0.84 GPR84 (0.44) GPR84ELANEHTR2ASLC22A6NR4A2
SCHEMBL27708215 0.83 CYP2A6 (0.44) ELANESLC22A6NR4A2CHEK1SLC6A4
SCHEMBL28030915 0.83 ELANE (0.42) ELANEHTR2ASLC22A6NR4A2CHEK1
SCHEMBL27772032 0.83 NR4A2 (0.52) GPR84ELANESLC22A6NR4A2CHEK1
SCHEMBL27846785 0.80 ELANE (0.39) ELANESLC22A6NR4A2CHEK1SLC6A4
SCHEMBL27892284 0.78 MTNR1A (0.41) ELANEHTR2ASLC22A6HTR2CHTR2B
SCHEMBL27623623 0.76 SLC22A6 (0.69) GPR84ELANESLC22A6NR4A2CHEK1
SCHEMBL28167759 0.75 FFAR1 (0.53) FFAR1GPR84HTR2AHTR2CHTR2B
SCHEMBL10165367 0.75 GPR84 (0.46) FFAR1GPR84HTR2AHTR2CHTR2B
SCHEMBL20368796 0.73 ELANE (0.54) ELANEKMT2A

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