SCHEMBL13680427

SCHEMBL13680427

O=C(/C=C/c1ccc2cc(/C=C/C(=O)c3ccccc3)ccc2c1)c1ccccc1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.75
PTPN1 P18031 1/20 0.71
MAOB P27338 4/20 0.69
CYP1B1 Q16678 3/20 0.69
BCHE P06276 3/20 0.69
MAPT P10636 2/20 0.69
PLIN1 O60240 1/20 0.69
LMNA P02545 1/20 0.69
TNFRSF1A P19438 1/20 0.69
ACHE P22303 1/20 0.69
RECQL P46063 1/20 0.69
PLIN5 Q00G26 1/20 0.69
ABHD5 Q8WTS1 1/20 0.69
CYP1A2 P05177 2/20 0.66
CYP1A1 P04798 1/20 0.66
CYP2D6 P10635 1/20 0.66
RAB9A P51151 2/20 0.66
KMT2A Q03164 2/20 0.66
NFKB1 P19838 2/20 0.66
NFKB2 Q00653 2/20 0.66

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
SCHEMBL656219 0.96 CYP3A4 (0.77) CYP3A4PTPN1MAOBCYP1B1BCHE
SCHEMBL656220 0.96 CYP3A4 (0.77) CYP3A4PTPN1MAOBCYP1B1BCHE
SCHEMBL29624424 0.96 CYP3A4 (0.77) CYP3A4PTPN1MAOBCYP1B1BCHE
SCHEMBL6913489 0.87 CYP3A4 (0.74) CYP3A4PTPN1MAOBCYP1B1CYP1A2
SCHEMBL30566946 0.87 CYP3A4 (1.00) CYP3A4CYP1B1CYP1A2CYP1A1CYP2D6
SCHEMBL29267624 0.87 CYP3A4 (1.00) CYP3A4CYP1B1CYP1A2CYP1A1CYP2D6
SCHEMBL9915665 0.86 CYP1B1 (0.91) CYP3A4MAOBCYP1B1BCHEMAPT
SCHEMBL8431772 0.86 CYP1B1 (0.91) CYP3A4MAOBCYP1B1BCHEMAPT
SCHEMBL656428 0.86 CYP1B1 (0.81) CYP3A4PTPN1MAOBCYP1B1CYP1A2
SCHEMBL656427 0.86 CYP1B1 (0.81) CYP3A4PTPN1MAOBCYP1B1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582364-B2 Utilizing phosphorescence which emits light efficiently with high luminance at low current density; flat panel displays NIPPON STEEL CHEMICAL CO., LTD. (JP) 2009-09-01 US disclosed
US-7582364-B2 Utilizing phosphorescence which emits light efficiently with high luminance at low current density; flat panel displays NIPPON STEEL CHEMICAL CO., LTD. (JP) 2009-09-01 US disclosed
US-20070012935-A1 Organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2007-01-18 US disclosed
US-20070012935-A1 Organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2007-01-18 US disclosed