SCHEMBL9410281

SCHEMBL9410281

Cc1ccccc1OCC(O)CN1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.57
LMNA P02545 4/20 0.50
MEN1 O00255 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 2/20 0.49
ALDH1A1 P00352 1/20 0.48
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
GAA P10253 1/20 0.46
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
ABCB1 P08183 3/20 0.43

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
SCHEMBL9410270 0.90 KMT2A (0.52) KMT2ALMNAMEN1TSHRALDH1A1
SCHEMBL9359743 0.87 TSHR (0.53) KMT2ALMNASMN1; SMN2TSHRGAA
SCHEMBL9410284 0.87 ALDH1A1 (0.48) KMT2AMEN1SMN1; SMN2TSHRALDH1A1
SCHEMBL9410318 0.86 TSHR (0.51) KMT2ALMNAMEN1SMN1; SMN2TSHR
SCHEMBL11175662 0.85 TSHR (0.55) KMT2AMEN1TSHRGAACYP2D6
SCHEMBL9410338 0.85 TSHR (0.55) KMT2AMEN1TSHRGAACYP2D6
SCHEMBL9410296 0.84 KMT2A (0.46) KMT2ALMNAMEN1SMN1; SMN2TSHR
SCHEMBL9410280 0.82 TSHR (0.57) KMT2AMEN1TSHRGAA
SCHEMBL11186095 0.82 KMT2A (0.52) KMT2ALMNAMEN1SMN1; SMN2TSHR
SCHEMBL9410286 0.81 KMT2A (0.54) KMT2ALMNAMEN1SMN1; SMN2TSHR

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