SCHEMBL24739129

SCHEMBL24739129

CCOC(=O)CC[C@@H]1C[C@H](Oc2ccc(C)cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.42
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SRC P12931 8/20 0.37
GPR119 Q8TDV5 2/20 0.37
P2RX3 P56373 1/20 0.37

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
SCHEMBL24739447 0.92 SRC (0.36) MCL1SRCGPR119P2RX3
SCHEMBL24739230 0.92 P2RX3 (0.44) MCL1CYP1A2CYP3A4SRCP2RX3
SCHEMBL24739530 0.92 SRC (0.42) MCL1SRC
SCHEMBL24740460 0.88 GPR119 (0.41) MCL1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL24739050 0.88 GPR119 (0.41) MCL1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL24739541 0.86 HRH3 (0.37) CYP1A2POLBCYP3A4CYP2C19SRC
SCHEMBL24739114 0.85 TP53 (0.38) POLBSRCP2RX3
SCHEMBL24739538 0.85 TP53 (0.38) POLBSRCP2RX3
SCHEMBL24739168 0.82 SRC (0.36) CYP1A2POLBCYP3A4CYP2C19SRC
SCHEMBL24739552 0.82 SRC (0.39) SRCGPR119

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-2022253101-A1 PYRIDAZINONE COMPOUND AS PARP7 INHIBITOR 上海优理惠生医药有限公司 2022-12-08 WO disclosed