SCHEMBL13745504

SCHEMBL13745504

COCCCNC(=O)C1CCN(C)CC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.70
KDM4E B2RXH2 5/20 0.62
ALDH1A1 P00352 4/20 0.62
HPGD P15428 3/20 0.62
USP2 O75604 1/20 0.60
HSD17B10 Q99714 1/20 0.60
GAA P10253 2/20 0.56
KDM4C Q9H3R0 1/20 0.56
TSHR P16473 2/20 0.55
MAPT P10636 2/20 0.52
LMNA P02545 3/20 0.52
KMT2A Q03164 1/20 0.51
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.48

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
SCHEMBL13745507 0.90 MAPT (0.62) CYP3A4KDM4EALDH1A1HPGDUSP2
SCHEMBL13745660 0.86 TSHR (0.72) CYP3A4KDM4EALDH1A1GAATSHR
SCHEMBL13627855 0.85 CYP3A4 (0.67) CYP3A4KDM4EALDH1A1HPGDUSP2
SCHEMBL24334503 0.85 MAPT (0.53) CYP3A4KDM4EALDH1A1HPGDUSP2
SCHEMBL24334510 0.85 MAPT (0.53) CYP3A4KDM4EALDH1A1HPGDUSP2
SCHEMBL3436777 0.82 GNAI3 (0.50) CYP3A4KDM4EALDH1A1USP2HSD17B10
SCHEMBL13745305 0.82 GAA (0.62) CYP3A4KDM4EALDH1A1GAATSHR
SCHEMBL22652025 0.82 NAAA (0.63) CYP3A4KDM4EALDH1A1HPGDUSP2
SCHEMBL24098152 0.81 GNAI3 (0.68) CYP3A4KDM4EALDH1A1GAATSHR
SCHEMBL15624788 0.81 GNAI3 (0.59) CYP3A4KDM4EALDH1A1HPGDUSP2

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
WO-2022078350-A1 METHODS AND COMPOSITIONS FOR TARGETED PROTEIN DEGRADATION RANOK THERAPEUTICS (HANGZHOU) CO. LTD. (CN) 2022-04-21 WO disclosed
WO-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 WO disclosed