SCHEMBL15908398

SCHEMBL15908398

OOC(/C=C/c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
MAOB P27338 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HDAC3 O15379 1/20 0.38
TNKS O95271 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL17736105 0.89 MGLL (0.44) CYP1A2HDAC1HDAC2HDAC6CA1
SCHEMBL17736103 0.89 CYP1A2 (0.42) CYP1A2MAOBHDAC1HDAC2HDAC6
SCHEMBL15946081 0.81 LTA4H (0.41) CYP1A2LMNAHDAC3HDAC1HDAC2
SCHEMBL17765440 0.80 CYP1A2 (0.47) CYP1A2MAOBALDH1A1MAPTTDP1
SCHEMBL17765438 0.80 CYP1A2 (0.47) CYP1A2MAOBALDH1A1MAPTTDP1
SCHEMBL3321162 0.79 CYP1A2 (0.56) CYP1A2MAOBALDH1A1LMNAMAPT
SCHEMBL3321160 0.79 CYP1A2 (0.56) CYP1A2MAOBALDH1A1LMNAMAPT
SCHEMBL3321163 0.79 CYP1A2 (0.56) CYP1A2MAOBALDH1A1LMNAMAPT
SCHEMBL12600555 0.77 CYP3A4 (0.47) MAOBALDH1A1MAPTCYP2C9CA1
SCHEMBL1941433 0.77 CYP1A2 (0.53) CYP1A2ALDH1A1LMNAMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8860912-B2 Liquid crystal display device DIC CORPORATION (JP) 2014-10-14 US disclosed
US-20140211138-A1 LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2014-07-31 US disclosed