SCHEMBL21235643

SCHEMBL21235643

CC(C)(C)c1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccc(-c4ccc(C(C)(C)F)cc4)cc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.43
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
KIF11 P52732 1/20 0.31
CYP11B1 P15538 1/20 0.31
CCR4 P51679 1/20 0.31
ESR1 P03372 2/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CCNE2 O96020 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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 0.94 GPR84 (0.47) GPR84TNKSTNKS2KIF11CYP11B1
SCHEMBL22993247 0.93 GPR84 (0.43) GPR84TNKSTNKS2KIF11CYP11B1
SCHEMBL22993148 0.93 GPR84 (0.43) GPR84TNKSTNKS2KIF11CYP11B1
SCHEMBL26214203 0.91 GPR84 (0.49) GPR84TNKSTNKS2KIF11CYP11B1
SCHEMBL22993257 0.90 GPR84 (0.43) GPR84TNKSTNKS2KIF11CYP11B1
SCHEMBL22993349 0.90 GPR84 (0.44) GPR84TNKSTNKS2KIF11CYP11B1
SCHEMBL26217000 0.89 GPR84 (0.44) GPR84TNKSTNKS2KIF11CYP11B1
SCHEMBL26217228 0.89 GPR84 (0.44) GPR84TNKSTNKS2KIF11CYP11B1
SCHEMBL22993342 0.88 GPR84 (0.44) GPR84TNKSTNKS2KIF11CYP11B1
SCHEMBL22993077 0.88 SERPINE1 (0.39) GPR84KIF11CYP11B1

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-2019150327-A1 MATERIALS FOR FORMING A NUCLEATION-INHIBITING COATING AND DEVICES INCORPORATING SAME OTI LUMIONICS INC. (CA) 2019-08-08 WO disclosed