SCHEMBL30797780

SCHEMBL30797780

CC1(C)OB(c2cc([N+](=O)[O-])c3cnn(C4CCCCO4)c3c2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.37
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ MITF O75030 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ CYP4F2 P78329 2/20 0.33
▸ CYP4A11 Q02928 2/20 0.33
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.31

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
SCHEMBL27376999 0.83 ALDH1A1 (0.39) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL29168262 0.83 CYP4F2 (0.39) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL30797706 0.83 ALDH1A1 (0.39) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL30797632 0.83 CREBBP (0.35) CREBBPRXRARXRBRXRGALDH1A1
SCHEMBL25795327 0.80 RXRA (0.40) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL20699373 0.79 RXRA (0.39) CREBBPRXRARXRBRXRGALDH1A1
SCHEMBL30161705 0.79 RXRA (0.39) CREBBPRXRARXRBRXRGALDH1A1
SCHEMBL2144475 0.78 IRAK4 (0.47) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL29741019 0.78 IRAK4 (0.47) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL23043800 0.76 CYP4F2 (0.38) RXRARXRBRXRGALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4584249-A1 NOVEL COMPOUNDS AS CK2 INHIBITORS Cambridge Enterprise Limited (GB) 2025-07-16 — — EP disclosed
EP-4584266-A1 NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF Cambridge Enterprise Limited (GB) 2025-07-16 — — EP disclosed
WO-2024052701-A1 NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-03-14 — — WO disclosed
WO-2024052702-A1 NOVEL COMPOUNDS AS CK2 INHIBITORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-03-14 — — WO disclosed
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