SCHEMBL16675512

SCHEMBL16675512

CC#Cc1ccc(C#Cc2ccc(I)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP1B1 Q16678 2/20 0.50
APP P05067 9/20 0.43
MAPT P10636 1/20 0.37
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35

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
SCHEMBL16675523 1.00 CYP1A1 (0.50) CYP1A1CYP1A2CYP1B1APPMAPT
SCHEMBL9333106 0.97 CYP1A1 (0.52) CYP1A1CYP1A2CYP1B1APPMAPT
SCHEMBL1306241 0.86 APP (0.47) APPMAPTKDM4EMEN1ALDH1A1
SCHEMBL20015758 0.86 APP (0.47) APPMAPTKDM4EMEN1ALDH1A1
SCHEMBL3913662 0.83 CYP1A1 (0.65) CYP1A1CYP1A2CYP1B1APPMAPT
SCHEMBL2865734 0.79 APP (0.74) APPMAPTMEN1ALDH1A1RAB9A
SCHEMBL21564900 0.79 GRM5 (0.52) APPMAPTMEN1ALDH1A1KMT2A
SCHEMBL2037596 0.78 APP (0.48) APPMAPT
SCHEMBL18649211 0.78 APP (0.41) APPMAPTKDM4EMEN1ALDH1A1
SCHEMBL16501329 0.76 APP (0.67) CYP1A1CYP1A2CYP1B1APPMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416317-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, and optical anisotropic body LG CHEM, LTD. (KR) 2016-08-16 US disclosed
US-20160024385-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICAL ANISOTROPIC BODY LG CHEM, LTD. (KP) 2016-01-28 US disclosed
US-9206355-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, and optically anisotropic body LG CHEM, LTD. (KR) 2015-12-08 US disclosed
US-20150115199-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICALLY ANISOTROPIC BODY LG CHEM, LTD. (KR) 2015-04-30 US disclosed
US-20150115199-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICALLY ANISOTROPIC BODY LG CHEM, LTD. (KR) 2015-04-30 US disclosed