SCHEMBL9244357

SCHEMBL9244357

C=CCc1ccc2cc(CCC(C)O)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.43
ALDH1A1 P00352 6/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
GAA P10253 3/20 0.42
KMT2A Q03164 3/20 0.42
GABRA1 P14867 3/20 0.42
GABRB2 P47870 3/20 0.42
KDM4E B2RXH2 2/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
ALDH2 P05091 1/20 0.42
AKR1B1 P15121 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 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
SCHEMBL9241709 0.91 GRIN2D (0.47) XDHALDH1A1MAPTMEN1GAA
SCHEMBL9237065 0.89 GRIN2D (0.43) XDHALDH1A1MAPTMEN1GAA
SCHEMBL9244042 0.88 GRIN2D (0.42) XDHALDH1A1MAPTMEN1GAA
SCHEMBL9240493 0.88 GRIN2D (0.42) XDHALDH1A1MAPTMEN1GAA
SCHEMBL5695986 0.84 ALDH1A1 (0.46) XDHALDH1A1MAPTMEN1GAA
SCHEMBL9242096 0.83 XDH (0.46) XDHALDH1A1MAPTMEN1GAA
SCHEMBL8716923 0.80 ALDH1A1 (0.42) XDHALDH1A1MAPTMEN1GAA
SCHEMBL2482277 0.80 HTR2A (0.53) GRIN2DGRIN2AGRIN2BGRIN2CCYP1A2
SCHEMBL9244434 0.79 UGT2B7 (0.53) XDHALDH1A1MAPTMEN1GAA
SCHEMBL3259762 0.78 XDH (0.58) XDHALDH1A1MAPTMEN1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5422038-A Ferroelectric liquid crystal material with sufficient spontaneous polarization, high speed response capability, wide temperature range SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-06-06 US disclosed
EP-0416946-B1 Optically active naphthalene derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL CO (JP) 1994-11-09 EP disclosed
EP-0416946-A2 Optically active naphthalene derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-03-13 EP disclosed