SCHEMBL25943145

SCHEMBL25943145

CCOC(=O)c1c(CBr)n(C)c2cc(OC3CCCC3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
ALOX5 P09917 10/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
TSHR P16473 1/20 0.43
S1PR3 Q99500 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
ACSL1 P33121 1/20 0.40

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
SCHEMBL25943144 0.91 POLB (0.46) POLBGAAALOX5MAOAMAOB
SCHEMBL25942916 0.90 POLB (0.45) POLBGAAALOX5MAOAMAOB
SCHEMBL25943291 0.89 MAOA (0.46) POLBGAAALOX5MAOAMAOB
SCHEMBL25949865 0.89 MAOA (0.46) POLBGAAALOX5MAOAMAOB
SCHEMBL25948964 0.88 S1PR3 (0.45) POLBGAAALOX5MAOAMAOB
SCHEMBL25943290 0.87 MAOA (0.47) POLBGAAALOX5MAOAMAOB
SCHEMBL25949813 0.86 ALOX5 (0.44) POLBGAAALOX5MAOAMAOB
SCHEMBL25938977 0.84 MAPT (0.55) POLBGAAALOX5MAOAMAOB
SCHEMBL25947070 0.82 TSHR (0.58) POLBGAATSHRKMT2AKDM4E
SCHEMBL25942766 0.82 TSHR (0.46) POLBGAAALOX5TSHRKMT2A

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
EP-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed