SCHEMBL29990992

SCHEMBL29990992

C#CCOCCOCCOCCOc1ccccc1CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PTK2B Q14289 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ FABP4 P15090 1/20 0.42
▸ FABP5 Q01469 1/20 0.42
▸ CFD P00746 1/20 0.41
▸ PLG P00747 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ F11 P03951 1/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ F7 P08709 1/20 0.41
▸ TPSB2 P20231 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ LTB4R Q15722 1/20 0.40

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
SCHEMBL25123136 1.00 CXCL8 (0.48) CXCL8ALDH1A1KMT2APTK2BL3MBTL1
SCHEMBL30872624 0.99 CXCL8 (0.49) CXCL8ALDH1A1KMT2APTK2BL3MBTL1
SCHEMBL29991027 0.85 ALDH1A1 (0.43) ALDH1A1KMT2APTK2BL3MBTL1KDM4E
SCHEMBL25123039 0.85 ALDH1A1 (0.43) ALDH1A1KMT2APTK2BL3MBTL1KDM4E
SCHEMBL17347722 0.85 MAPT (0.56) CXCL8KMT2AL3MBTL1MAPTFABP4
SCHEMBL29172806 0.84 PPARD (0.43) ALDH1A1KMT2APTK2BL3MBTL1KDM4E
SCHEMBL1151463 0.82 ALDH1A1 (0.53) CXCL8ALDH1A1KMT2APTK2BL3MBTL1
SCHEMBL18301818 0.76 L3MBTL1 (0.55) CXCL8L3MBTL1KDM4ELMNAMAPT
SCHEMBL3771673 0.76 ALDH1A1 (0.46) CXCL8ALDH1A1KMT2APTK2BL3MBTL1
SCHEMBL31502389 0.74 PLA2G4B (0.47) ALDH1A1L3MBTL1LMNATSHRLTB4R

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
EP-4334307-A1 CDK2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-03-13 — — EP disclosed
WO-2022236058-A1 CDK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-11-10 — — WO disclosed
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