SCHEMBL29045649

SCHEMBL29045649

CCC(CCO)c1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.61
FFAR1 O14842 2/20 0.58
CYP2D6 P10635 2/20 0.57
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX15 P16050 1/20 0.57
ALOX12 P18054 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.57
HTR2A P28223 3/20 0.50
HTR2C P28335 2/20 0.50
HTR2B P41595 2/20 0.50
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47

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
SCHEMBL20048442 0.87 GPR84 (0.71) GPR84FFAR1CYP2D6ALDH1A1TP53
SCHEMBL20037115 0.87 GPR84 (0.73) GPR84FFAR1CYP2D6ALDH1A1TP53
SCHEMBL10990218 0.82 GPR84 (0.59) GPR84FFAR1CYP2D6ALDH1A1TP53
SCHEMBL27590147 0.82 GPR84 (0.59) GPR84FFAR1CYP2D6ALDH1A1TP53
SCHEMBL27663364 0.82 GPR84 (0.62) GPR84FFAR1CYP2D6ALDH1A1TP53
SCHEMBL9214943 0.81 HTR2A (0.66) GPR84FFAR1CYP2D6ALDH1A1TP53
SCHEMBL5470348 0.81 HTR2A (0.66) GPR84FFAR1CYP2D6ALDH1A1TP53
SCHEMBL27308901 0.81 GPR84 (0.56) GPR84FFAR1CYP2D6ALDH1A1TP53
SCHEMBL14145831 0.80 GPR84 (0.75) GPR84FFAR1CYP2D6ALDH1A1TP53
SCHEMBL10523772 0.79 GPR84 (0.51) GPR84FFAR1CYP2D6ALDH1A1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114920775-B Axial chiral bisindole catalyst and synthetic method and application thereof 江苏师范大学 2023-08-04 CN disclosed
CN-114920775-B Axial chiral bisindole catalyst and synthetic method and application thereof 江苏师范大学 2023-08-04 CN disclosed