SCHEMBL26216554

SCHEMBL26216554

CC(C)(C)c1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.52
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
CYP11B1 P15538 1/20 0.38
ALOX5 P09917 2/20 0.37
CCR4 P51679 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KIF11 P52732 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TNF P01375 1/20 0.36
NOD1 Q9Y239 1/20 0.36

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
SCHEMBL26217141 0.93 GPR84 (0.47) GPR84TNKSTNKS2CYP11B1ALOX5
SCHEMBL22993358 0.92 GPR84 (0.46) GPR84TNKSTNKS2CYP11B1ALOX5
SCHEMBL26214203 0.89 GPR84 (0.49) GPR84TNKSTNKS2CYP11B1CCR4
SCHEMBL26217000 0.88 GPR84 (0.44) GPR84TNKSTNKS2CYP11B1CCR4
SCHEMBL26217228 0.88 GPR84 (0.44) GPR84TNKSTNKS2CYP11B1CCR4
SCHEMBL22993247 0.87 GPR84 (0.43) GPR84TNKSTNKS2CYP11B1KIF11
SCHEMBL22993148 0.87 GPR84 (0.43) GPR84TNKSTNKS2CYP11B1KIF11
SCHEMBL21235643 0.87 GPR84 (0.43) GPR84TNKSTNKS2CYP11B1CCR4
SCHEMBL22993257 0.87 GPR84 (0.43) GPR84TNKSTNKS2CYP11B1SMN1; SMN2
SCHEMBL4306906 0.85 GPR84 (0.44) GPR84CYP11B1TP53ALDH1A1HPGD

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
US-11751415-B2 Materials for forming a nucleation-inhibiting coating and devices incorporating same OTI LUMIONICS INC. (CA) 2023-09-05 US disclosed