SCHEMBL29782854

SCHEMBL29782854

CC(C)=C(O)[C@H]1O[C@@H](n2ccc(NO)nc2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 10/20 0.44
P2RY2 P41231 8/20 0.44
P2RY4 P51582 7/20 0.44
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
MTOR P42345 1/20 0.42
MDM2 Q00987 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
P2RY14 Q15391 2/20 0.39
NT5E P21589 1/20 0.39

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
SCHEMBL29783053 0.88 LMNA (0.36) P2RY6P2RY2P2RY4LMNATHRB
SCHEMBL5193818 0.86 LMNA (0.44) P2RY6P2RY2P2RY4LMNATHRB
SCHEMBL3404713 0.84 LMNA (0.60) P2RY2LMNATHRBMTORMDM2
SCHEMBL20668746 0.81 P2RY6 (0.47) P2RY6P2RY2P2RY4LMNATHRB
SCHEMBL27222211 0.78 LMNA (0.46) P2RY6P2RY2P2RY4LMNATHRB
SCHEMBL25929443 0.78 P2RY6 (0.55) P2RY6P2RY2P2RY4LMNATHRB
N-Hydroxycytidine SCHEMBL20658265 0.76 LMNA (0.70) P2RY6P2RY2P2RY4LMNATHRB
N-Hydroxycytidine SCHEMBL20668839 0.76 LMNA (0.70) P2RY6P2RY2P2RY4LMNATHRB
N-Hydroxycytidine SCHEMBL20668723 0.76 LMNA (0.70) P2RY6P2RY2P2RY4LMNATHRB
N-Hydroxycytidine SCHEMBL5190819 0.76 LMNA (0.70) P2RY6P2RY2P2RY4LMNATHRB

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
CN-113278040-B Preparation method of 5' -isobutyryl-N4-hydroxycytidine 苏州立新制药有限公司 2022-07-05 CN disclosed