SCHEMBL9410286

SCHEMBL9410286

CC(C)(C)c1ccc(OCC(O)CN2C(C)(C)CC(OC(=O)c3ccccc3)CC2(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.54
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
SCN1A P35498 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.42
ABCB1 P08183 2/20 0.42
CYP2D6 P10635 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL11186095 0.95 KMT2A (0.52) KMT2AMEN1TSHRALDH1A1SMN1; SMN2
SCHEMBL9410265 0.94 KMT2A (0.53) KMT2AMEN1TSHRALDH1A1SMN1; SMN2
SCHEMBL9359743 0.91 TSHR (0.53) KMT2ATSHRSMN1; SMN2MAPTKDM4E
SCHEMBL9410279 0.89 TSHR (0.47) KMT2AMEN1TSHRALDH1A1MAPT
SCHEMBL9410264 0.87 TSHR (0.48) KMT2AMEN1TSHRALDH1A1MAPT
SCHEMBL9410297 0.87 TSHR (0.45) KMT2AMEN1TSHRKDM4EMAPK1
SCHEMBL9410284 0.85 ALDH1A1 (0.48) KMT2AMEN1TSHRALDH1A1SMN1; SMN2
SCHEMBL11179679 0.84 TSHR (0.46) KMT2AMEN1TSHRALDH1A1MAPT
SCHEMBL11175662 0.82 TSHR (0.55) KMT2AMEN1TSHRGAACYP2D6
SCHEMBL9410338 0.82 TSHR (0.55) KMT2AMEN1TSHRGAACYP2D6

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-0583971-A1 Piperidine derivatives SANKYO COMPANY LIMITED (JP) 1994-02-23 EP disclosed