SCHEMBL7473783

SCHEMBL7473783

COc1cc(C(=O)C(=O)N(C)[C@@H](Cc2ccc(Cl)cc2)CS(=O)(=O)CCCc2cccnc2)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 6/20 0.44
ABCC1 P33527 1/20 0.43
FKBP4 Q02790 1/20 0.43
FKBP5 Q13451 1/20 0.43
NAMPT P43490 1/20 0.39
PTAFR P25105 5/20 0.38
TBXAS1 P24557 4/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7464552 0.94 FKBP1A (0.47) FKBP1AABCC1FKBP4FKBP5PTAFR
SCHEMBL7176742 0.73 CNR1 (0.38) FKBP1AABCC1ALDH1A1
SCHEMBL7177956 0.73 CNR1 (0.38) FKBP1AABCC1ALDH1A1
SCHEMBL7473785 0.72 CYP1A2 (0.37) FKBP1AABCC1FKBP4FKBP5TBXAS1
Timcodar SCHEMBL30929684 0.71 ALDH1A1 (0.36) KDM4EALDH1A1HPGD
Timcodar SCHEMBL1492143 0.70 L3MBTL1 (0.37) FKBP1AALDH1A1
SCHEMBL6570451 0.70 L3MBTL1 (0.37) FKBP1AALDH1A1
Timcodar SCHEMBL3673444 0.70 L3MBTL1 (0.37) FKBP1AALDH1A1
SCHEMBL6570448 0.70 L3MBTL1 (0.37) FKBP1AALDH1A1
SCHEMBL7181772 0.70 F10 (0.38) ALDH1A1POLB

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
EP-1204657-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES DISPLAYING NEURONAL ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2002-05-15 EP disclosed
WO-2001012622-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES DISPLAYING NEURONAL ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2001-02-22 WO disclosed