SCHEMBL1078417

SCHEMBL1078417

CC1(c2ccccc2)C2C=CC(C2)C1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
LMNA P02545 1/20 0.39
HSD11B1 P28845 2/20 0.36
ADRB2 P07550 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
CCR2 P41597 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA5 P08648 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1079211 0.82 HSD11B1 (0.38) ALDH1A1TDP1GAAKDM4EMEN1
SCHEMBL1078394 0.77 KMT2A (0.37) ALDH1A1TDP1GAAKDM4EMEN1
SCHEMBL1733128 0.73 ALDH1A1 (0.39) ALDH1A1TDP1GAAKDM4EMEN1
SCHEMBL1739479 0.67 KDM4E (0.36) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL1733068 0.66 TDP1 (0.33) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL11611684 0.65 KDM4E (0.44) ALDH1A1TDP1GAAKDM4EMEN1
SCHEMBL8618809 0.64 TDP1 (0.48) ALDH1A1TDP1GAAKDM4EMEN1
SCHEMBL8614717 0.62 TDP1 (0.46) ALDH1A1TDP1GAAKDM4EMEN1
SCHEMBL9792100 0.60 ALDH1A1 (0.50) ALDH1A1TDP1GAAKDM4EMEN1
SCHEMBL1733208 0.60 ALDH1A1 (0.36) ALDH1A1TDP1GAAKDM4EMEN1

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-8211514-B2 Reverse dispersion retardation film and liquid crystal display device using the same JX NIPPON OIL & ENERGY CORPORATION (JP) 2012-07-03 US disclosed
US-7867581-B2 Retardation film and liquid crystal display device using the same NIPPON OIL CORPORATION (JP) 2011-01-11 US disclosed
US-20090156770-A1 Retardation film and liquid crystal display device using the same NIPPON OIL CORPORATION (JP) 2009-06-18 US disclosed