SCHEMBL30602762

SCHEMBL30602762

CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2(O)c1cc(Cl)cc2c1cnn2C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 1/20 0.40
▸ NR3C1 P04150 1/20 0.36
▸ TP53 P04637 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ STS P08842 2/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CCNK O75909 1/20 0.34
▸ CDK12 Q9NYV4 1/20 0.34
▸ LMNA P02545 1/20 0.33

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
SCHEMBL20939467 1.00 KRAS (0.40) KRASNR3C1TP53MAPTMEN1
SCHEMBL22584459 1.00 KRAS (0.40) KRASNR3C1TP53MAPTMEN1
SCHEMBL22584461 1.00 KRAS (0.40) KRASNR3C1TP53MAPTMEN1
SCHEMBL20939437 0.86 KRAS (0.38) KRASNR3C1TP53MAPTMEN1
SCHEMBL22584365 0.86 KRAS (0.38) KRASNR3C1TP53MAPTMEN1
SCHEMBL22584363 0.86 KRAS (0.38) KRASNR3C1TP53MAPTMEN1
SCHEMBL17731773 0.80 MEN1 (0.43) KRASNR3C1TP53MAPTMEN1
SCHEMBL30610187 0.80 MEN1 (0.43) KRASNR3C1TP53MAPTMEN1
SCHEMBL20699375 0.78 TP53 (0.43) KRASNR3C1TP53MAPTMEN1
SCHEMBL30161908 0.78 TP53 (0.43) KRASNR3C1TP53MAPTMEN1

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
CN-111601808-B Heterocyclic compounds and compositions and methods of use thereof 捷思英达医药技术(上海)有限公司 2023-09-08 — — CN disclosed
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