SCHEMBL9005296

SCHEMBL9005296

COc1ccc(CC(O)CN2CCN(c3ccccc3C(=O)O)CC2)c(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.51
ABCB1 P08183 10/20 0.49
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL9005291 0.89 ABCB1 (0.48) HSP90AB1ABCB1TP53MAPT
SCHEMBL9005294 0.86 SLC6A9 (0.43) HSP90AB1ABCB1TP53MAPT
SCHEMBL8432829 0.85 TP53 (0.65) HSP90AB1ABCB1TP53MAPT
SCHEMBL8435309 0.80 ABCB1 (0.53) HSP90AB1ABCB1MAPT
SCHEMBL9005304 0.80 ABCB1 (0.53) HSP90AB1ABCB1MAPT
SCHEMBL9005292 0.77 MEN1 (0.41) HSP90AB1ABCB1MAPTALDH1A1
SCHEMBL8432850 0.76 TP53 (0.55) HSP90AB1ABCB1TP53MAPT
SCHEMBL8431150 0.76 TP53 (0.63) HSP90AB1ABCB1TP53MAPT
SCHEMBL9005293 0.73 ABCB1 (0.49) ABCB1TP53MAPTKDM4EALDH1A1
SCHEMBL8430938 0.73 MEN1 (0.50) HSP90AB1ABCB1TP53MAPT

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-0735030-A1 Piperazine derivative having antiallergic activity Senju Pharmaceutical Co., Ltd. (JP) 1996-10-02 EP claimed
EP-0735030-A1 Piperazine derivative having antiallergic activity Senju Pharmaceutical Co., Ltd. (JP) 1996-10-02 EP disclosed