SCHEMBL30369865

SCHEMBL30369865

CC(C)(C)OC(=O)COc1ccc2c(c1)CCCN2C(=O)CCl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ TP53 P04637 3/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ TSHR P16473 3/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 3/20 0.46
▸ PDK1 Q15118 3/20 0.46
▸ PDK2 Q15119 3/20 0.46
▸ PDK3 Q15120 3/20 0.46
▸ PDK4 Q16654 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL22075960 1.00 MAPT (0.48) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL22075927 0.90 ALDH1A1 (0.48) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL31372228 0.89 PARP1 (0.45) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL24528787 0.88 MPO (0.50) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL29722743 0.88 MPO (0.50) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL29088763 0.88 HSD17B10 (0.49) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL22075942 0.84 TSHR (0.56) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL30457845 0.84 MAPT (0.52) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL30369541 0.84 TSHR (0.56) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL29040439 0.84 MAPT (0.52) MAPTTP53ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025034789-A1 ARYLBENZOISOXAZOLE COMPOUNDS AS IP6K AND IPMK DEGRADERS AND METHODS OF USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2025-02-13 — — WO disclosed
WO-2023081452-A1 SMALL-MOLECULE DEGRADERS OF CDK8 AND CDK19 UNIVERSITY OF SOUTH CAROLINA (US) 2023-05-11 — — WO disclosed
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