SCHEMBL25817006

SCHEMBL25817006

CCC(=O)N1CCN(C(=O)c2cc(OC)cc(C(=O)N3CCN(C(=O)CC)CC3)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
TSHR P16473 1/20 0.65
TP53 P04637 2/20 0.60
GAA P10253 1/20 0.58
BLM P54132 1/20 0.58
USP2 O75604 1/20 0.56
KDM4E B2RXH2 2/20 0.55
TDP1 Q9NUW8 1/20 0.53
DRD3 P35462 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL7846247 0.84 HPGD (0.69) ALDH1A1TSHRTP53GAABLM
SCHEMBL25817002 0.82 ALDH1A1 (0.63) ALDH1A1TSHRTP53GAAKDM4E
SCHEMBL19002658 0.78 MAPT (0.57) ALDH1A1TSHRGAADRD3SMN1; SMN2
SCHEMBL29944022 0.77 HPGD (0.67) ALDH1A1TSHRGAAKDM4ETDP1
SCHEMBL14883789 0.76 ALDH1A1 (0.59) ALDH1A1TSHRTP53GAAKDM4E
SCHEMBL12974650 0.74 ALDH1A1 (0.61) ALDH1A1TSHRTP53GAAUSP2
SCHEMBL16026516 0.74 ALDH1A1 (0.61) ALDH1A1TSHRGAAKDM4ETDP1
SCHEMBL6456595 0.74 L3MBTL1 (0.73) ALDH1A1TSHRGAAKDM4ETDP1
Sunifiram SCHEMBL195641 0.73 BLM (1.00) ALDH1A1TSHRBLMUSP2KDM4E
Hydrochloric Acid SCHEMBL9621122 0.73 ALDH1A1 (0.60) ALDH1A1TSHRGAAKDM4ETDP1

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-2023125806-A1 CONJUGATE FOR PREVENTING AND TREATING VIRAL INFECTIONS AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 WO disclosed