SCHEMBL8432302

SCHEMBL8432302

COc1ccc(OCC(O)CN2CCN(c3ccc(OCCC(=O)O)cc3)CC2C)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
MAPT P10636 6/20 0.49
TP53 P04637 3/20 0.49
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
ABCB1 P08183 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
HSP90AB1 P08238 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL8432296 0.88 TP53 (0.50) MEN1KMT2AMAPTTP53ADRB2
SCHEMBL9005298 0.88 SLC6A9 (0.39) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL8430938 0.82 MEN1 (0.50) MEN1KMT2AMAPTTP53ADRB2
SCHEMBL8434409 0.78 MEN1 (0.56) MEN1KMT2AMAPTTP53ADRB2
SCHEMBL9005297 0.78 SLC6A9 (0.42) MEN1KMT2AMAPTTP53ABCB1
SCHEMBL8430964 0.73 MEN1 (0.40) MEN1KMT2AMAPTTP53ADRB2
SCHEMBL8432829 0.69 TP53 (0.65) MEN1KMT2AMAPTTP53ABCB1
SCHEMBL9005294 0.68 SLC6A9 (0.43) MEN1KMT2AMAPTTP53ABCB1
SCHEMBL8006361 0.68 KCNH2 (0.67) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL12576516 0.68 MAPT (0.57) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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
US-5981530-A FOR TREATMENT OF ALLERGIC DISEASES SENJU PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed