SCHEMBL27320429

SCHEMBL27320429

COCCN1C(=O)C(C)CC1O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.32
GBA1 P04062 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD11B1 P28845 1/20 0.31
HCRTR1 O43613 4/20 0.31
HCRTR2 O43614 4/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
BRD4 O60885 1/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL20375297 0.76 TLR4 (0.32) ALDH1A1
SCHEMBL21728703 0.76 L3MBTL1 (0.36)
SCHEMBL25002583 0.75 MGLL (0.32)
SCHEMBL27320156 0.75 KDM4E (0.36) KDM4EHPGDMEN1TP53KMT2A
SCHEMBL22688335 0.73 PAOX (0.33) ALDH1A1
SCHEMBL20845391 0.72 HCRTR1 (0.30) HCRTR1HCRTR2
SCHEMBL20051792 0.72 CAPN1 (0.32)
SCHEMBL27320149 0.72 MTNR1A (0.34) ALDH1A1KDM4ETP53
SCHEMBL25989676 0.70 GBA1 (0.36) ALDH1A1KDM4EHPGDTDP1GBA1
SCHEMBL21064227 0.69

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-2024105205-A1 ANTIBODY-DRUG CONJUGATES (A2DCS) WITH ENZYMATICALLY CLEAVABLE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-23 WO disclosed