SCHEMBL28695345

SCHEMBL28695345

CC(C)c1cc(C(C)C)c(-c2cc3ccccc3c3c2OP(=O)(O)Oc2ccc4ccccc4c2-3)c(C(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 19/20 0.58
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ RECQL P46063 1/20 0.48

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
SCHEMBL29434532 0.92 GPR84 (0.65) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL25658396 0.88 GPR84 (0.63) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL14327789 0.85 GPR84 (0.65) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL16788630 0.84 GPR84 (0.55) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL21615657 0.83 GPR84 (0.82) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL16788633 0.82 GPR84 (0.62) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL16263334 0.81 GPR84 (0.50) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL16788632 0.81 GPR84 (0.53) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL16788629 0.79 GPR84 (0.49) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL16788631 0.79 GPR84 (0.51) GPR84MEN1KMT2AKDM4ERECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114026095-A Alternative process for the preparation of 4-phenyl-5-alkoxycarbonyl-2-thiazol-2-yl-1, 4-dihydropyrimidin-6-yl ] methyl ] -3-oxo-5, 6,8,8 a-tetrahydro-1H-imidazo [1,5-a ] pyrazin-2-yl ] -carboxylic acid 豪夫迈·罗氏有限公司 2022-02-08 — — CN claimed
CN-115697971-A Cyclobutyldihydroquinoline sulfonamide compound 美国安进公司 2023-02-03 — — CN disclosed
CN-114026095-A Alternative process for the preparation of 4-phenyl-5-alkoxycarbonyl-2-thiazol-2-yl-1, 4-dihydropyrimidin-6-yl ] methyl ] -3-oxo-5, 6,8,8 a-tetrahydro-1H-imidazo [1,5-a ] pyrazin-2-yl ] -carboxylic acid 豪夫迈·罗氏有限公司 2022-02-08 — — CN disclosed
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