SCHEMBL30893298

SCHEMBL30893298

CCOC(=O)c1cn(CCCCO)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.45
▸ TBXAS1 P24557 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 2/20 0.40
▸ GAA P10253 2/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ GABRA2 P47869 2/20 0.36
▸ GABRB2 P47870 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP4F2 P78329 2/20 0.36
▸ CYP4A11 Q02928 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ JMJD6 Q6NYC1 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL30268850 0.90 CNR2 (0.46) NOTUMTBXAS1CYP1A2KDM4EALDH1A1
SCHEMBL24036185 0.90 NOTUM (0.48) NOTUMTBXAS1CYP1A2KDM4EALDH1A1
SCHEMBL28934829 0.85 NOTUM (0.49) NOTUMTBXAS1CYP1A2KDM4EALDH1A1
SCHEMBL24842023 0.84 MEN1 (0.40) CNR2POLBCYP4F2CYP4A11MEN1
SCHEMBL24842800 0.84 MEN1 (0.40) CNR2POLBCYP4F2CYP4A11MEN1
SCHEMBL29065096 0.82 NOTUM (0.47) NOTUMTBXAS1CYP1A2KDM4EALDH1A1
SCHEMBL20857112 0.82 NOTUM (0.47) NOTUMTBXAS1CYP1A2KDM4EALDH1A1
SCHEMBL25153647 0.82 NOTUM (0.51) NOTUMCYP1A2KDM4EALDH1A1HPGD
SCHEMBL26813648 0.81 CPB2 (0.42) POLBCYP4F2CYP4A11MEN1KMT2A
SCHEMBL22859643 0.80 NOTUM (0.45) NOTUMTBXAS1CYP1A2KDM4EALDH1A1

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
WO-2024097948-A1 DEGRADERS OF MDM2 AND USES THEREOF ROIVANT DISCOVERY, INC. (US) 2024-05-10 — — WO disclosed
Send feedback