SCHEMBL15214945

SCHEMBL15214945

CC(O)CO[C@@H](C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
TACR1 P25103 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ADRA2C P18825 2/20 0.39
ADRA2A P08913 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38
CHRM2 P08172 1/20 0.37
ADRA1A P35348 1/20 0.37
RGS12 O14924 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL16103787 1.00 LMNA (0.50) LMNATACR1KDM4EADRA2CADRA2A
SCHEMBL4594703 0.85 LMNA (0.50) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL6558908 0.80 LMNA (0.46) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL10853706 0.80 LMNA (0.53) LMNATACR1KDM4EADRA2CADRA2A
SCHEMBL7956563 0.80 LMNA (0.53) LMNAKDM4EADRA2AALDH1A1SCN1A
SCHEMBL7960344 0.80 LMNA (0.53) LMNAKDM4EADRA2AALDH1A1SCN1A
SCHEMBL7956561 0.80 LMNA (0.53) LMNAKDM4EADRA2AALDH1A1SCN1A
SCHEMBL6558628 0.79 LMNA (0.44) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL6558950 0.79 LMNA (0.44) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL6559691 0.79 LMNA (0.44) LMNAKDM4EADRA2CADRA2AHIF1A

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-8519159-B2 Tri-substituted 2-benzhydryl-5-benzylamino-tetrahydro-pyran-4-OL and 6-benzhydryl-4-benzylamino-tetrahydro-pyran-3-OL analogues, and novel 3,6-disubstituted pyran derivatives WAYNE STATE UNIVERSITY (US) 2013-08-27 US disclosed