SCHEMBL30663333

SCHEMBL30663333

CC(C)NC(=O)OCCCCO

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.51
EPHX1 P07099 1/20 0.41
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
ADRA1A P35348 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL19921260 0.85 ACHE (0.47) ACHETSHRLMNACYP3A4NFKB1
SCHEMBL7256336 0.84 EPHX1 (0.60) ACHEEPHX1
SCHEMBL28440301 0.82 EPHX1 (0.63) ACHEEPHX1
SCHEMBL8382659 0.82 EPHX1 (0.52) ACHEEPHX1TSHRLMNACYP3A4
SCHEMBL1416627 0.81 EPHX1 (0.43) ACHEEPHX1TSHRLMNACYP3A4
SCHEMBL11969614 0.81 EPHX1 (0.43) ACHEEPHX1
SCHEMBL1416029 0.80 TSHR (0.38) ACHEEPHX1TSHRLMNACYP3A4
SCHEMBL28044977 0.80 TSHR (0.38) ACHEEPHX1TSHRLMNACYP3A4
SCHEMBL25941802 0.80 TSHR (0.38) ACHEEPHX1TSHRLMNACYP3A4
SCHEMBL25135275 0.78 MEN1 (0.42) ACHETSHRLMNACYP3A4NFKB1

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-4511384-A1 CXCR4-TARGETING COMPOUNDS, AND METHODS OF MAKING AND USING THE SAME Provincial Health Services Authority (CA) 2025-02-26 EP disclosed
WO-2023201435-A1 CXCR4-TARGETING COMPOUNDS, AND METHODS OF MAKING AND USING THE SAME PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-10-26 WO disclosed