SCHEMBL22717876

SCHEMBL22717876

CC1(C)OB(c2ccccc2CCO)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.42
LIPG Q9Y5X9 11/20 0.40
LPL P06858 10/20 0.40
F11 P03951 1/20 0.33
P4HB P07237 1/20 0.33
ANPEP P15144 1/20 0.33
LAP3 P28838 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL24299234 0.90 CXCR2 (0.40) CXCR2LIPGLPLF11P4HB
SCHEMBL29457774 0.90 CXCR2 (0.40) CXCR2LIPGLPLF11P4HB
SCHEMBL30737822 0.86 LPL (0.42) CXCR2LIPGLPLF11P4HB
SCHEMBL15810486 0.86 LPL (0.42) CXCR2LIPGLPLF11P4HB
SCHEMBL15780082 0.84 LIPG (0.50) CXCR2LIPGLPLF11P4HB
SCHEMBL16077614 0.81 LIPG (0.47) CXCR2LIPGLPL
SCHEMBL902458 0.81 LIPG (0.49) CXCR2LIPGLPLF11P4HB
SCHEMBL13202078 0.80 LPL (0.43) CXCR2LIPGLPLP4HBANPEP
SCHEMBL29543244 0.80 CXCR2 (0.40) CXCR2LIPGLPLANPEPLAP3
SCHEMBL23295322 0.80 CXCR2 (0.40) CXCR2LIPGLPLANPEPLAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976608-B1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2023-11-08 EP disclosed
EP-3976608-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2022-04-06 EP disclosed
CN-114127062-A Thiadiazolyl derivatives as inhibitors of DNA polymerase Theta 伊迪亚生物科学有限公司 2022-03-01 CN disclosed
WO-2020243459-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-12-03 WO disclosed
WO-2020243459-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-12-03 WO disclosed